SCHEMBL1267769

SCHEMBL1267769

C=CC(c1ccccc1)n1ccnc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 9/20 0.82
CYP19A1 P11511 6/20 0.61
MEN1 O00255 1/20 0.53
NR1I2 O75469 1/20 0.53
USP2 O75604 1/20 0.53
ABCB11 O95342 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PLA2G1B P04054 1/20 0.53
TP53 P04637 1/20 0.53
PGR P06401 1/20 0.53
HSP90AA1 P07900 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
IDO1 P14902 1/20 0.53
HPGD P15428 1/20 0.53
MAOA P21397 1/20 0.53
CNR1 P21554 1/20 0.53
HTR2A P28223 1/20 0.53
MAPK1 P28482 1/20 0.53
ADRA1A P35348 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL28285792 0.98 CYP17A1 (0.80) CYP17A1CYP19A1MEN1NR1I2USP2
Bromide SCHEMBL28938866 0.98 CYP17A1 (0.80) CYP17A1CYP19A1MEN1NR1I2USP2
SCHEMBL7387804 0.83 CYP19A1 (0.61) CYP17A1CYP19A1MEN1NR1I2USP2
SCHEMBL27850181 0.77 CYP17A1 (0.51) CYP17A1CYP19A1MEN1ALDH1A1CYP3A4
SCHEMBL29078122 0.77 CYP17A1 (0.51) CYP17A1CYP19A1MEN1ALDH1A1CYP3A4
SCHEMBL11446093 0.77 CYP17A1 (0.60) CYP17A1CYP19A1MEN1NR1I2USP2
SCHEMBL4283649 0.77 CYP19A1 (0.67) CYP17A1CYP19A1MEN1NR1I2USP2
SCHEMBL5321586 0.76 CYP19A1 (0.71) CYP17A1CYP19A1MEN1NR1I2USP2
SCHEMBL738495 0.76 CYP19A1 (1.00) CYP17A1CYP19A1MEN1NR1I2USP2
SCHEMBL11287252 0.74 CYP17A1 (0.74) CYP17A1CYP19A1MEN1NR1I2USP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 166 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332854-A Preparation method of benzylidene hydantoin 浙江昂利泰制药有限公司 2023-06-27 CN claimed
CN-115353836-B Sulfur-containing octanoic acid anion terpolymer adhesive and preparation method thereof 浙江理工大学 2023-05-23 CN claimed
CN-112126025-B Preparation method of amphoteric polymer retanning fatliquor 汤普勒新材料嘉兴有限公司 2023-03-24 CN claimed
CN-115353836-A Thioctic acid anion-containing terpolymer adhesive and preparation method thereof 浙江理工大学 2022-11-18 CN claimed
CN-102867989-A Non-aqueous electrolyte ionic liquid additive for improving high-temperature performance of battery INST PROCESS ENG CAS 2013-01-09 CN claimed
EP-0410466-B1 Substituted phenylalkylimidazole compounds HODOGAYA CHEMICAL CO LTD (JP) 1996-04-03 EP claimed
US-5057145-A PHENYLALKYLIMIDAZOLE COMPOUNDS AS FUNGICIDES HODOGAYA CHEMICAL CO., LTD. (JP) 1991-10-15 US claimed
EP-0410466-A2 Substituted phenylalkylimidazole compounds HODOGAYA CHEMICAL CO., LTD. (JP) 1991-01-30 EP claimed
CN-111961768-B Preparation method of amphoteric polyacrylic acid retanning agent 汤普勒新材料嘉兴有限公司 2023-07-28 CN disclosed
CN-116332854-A Preparation method of benzylidene hydantoin 浙江昂利泰制药有限公司 2023-06-27 CN disclosed
CN-115353836-B Sulfur-containing octanoic acid anion terpolymer adhesive and preparation method thereof 浙江理工大学 2023-05-23 CN disclosed
CN-112126025-B Preparation method of amphoteric polymer retanning fatliquor 汤普勒新材料嘉兴有限公司 2023-03-24 CN disclosed
CN-115353836-A Thioctic acid anion-containing terpolymer adhesive and preparation method thereof 浙江理工大学 2022-11-18 CN disclosed
CN-113517470-A High-nickel high-voltage ternary lithium ion battery non-aqueous electrolyte and lithium ion battery 杉杉新材料(衢州)有限公司 2021-10-19 CN disclosed
EP-0244956-A1 Ester prodrugs of dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1987-11-11 EP disclosed
EP-0225718-A2 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1987-06-16 EP disclosed
EP-0219961-A1 Irreversible dopamine-B-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1987-04-29 EP disclosed
EP-0214740-A2 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1987-03-18 EP disclosed
US-4634711-A ENZYME INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1987-01-06 US disclosed
US-4628059-A TRIAZOLES SMITHKLEIN BECKMAN CORPORATION (US) 1986-12-09 US disclosed