SCHEMBL49402

SCHEMBL49402

[NH]c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
HSD17B10 Q99714 5/20 0.53
CYP2A6 P11509 4/20 0.53
TSHR P16473 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP1A2 P05177 5/20 0.48
HPGD P15428 3/20 0.48
CYP3A4 P08684 2/20 0.48
KEAP1 Q14145 1/20 0.48
HPRT1 P00492 1/20 0.48
HIF1A Q16665 1/20 0.43
CYP1B1 Q16678 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
SIGMAR1 Q99720 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
TP53 P04637 1/20 0.39

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
SCHEMBL8059977 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL131747 0.85 HPRT1 (0.67) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL3787727 0.81 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL2007783 0.79 HSD17B10 (0.54) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL241836 0.76 ALDH1A1 (0.45) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL8014875 0.72 CYP2A6 (0.55) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL6350288 0.72 CYP2A6 (0.55) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4377802 0.70 ALDH1A1 (0.85) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL30932938 0.70 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL7643 0.70 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

Appears in 10773 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432995-B1 None US claimed
CN-118108717-A Organic compound and application thereof, and organic electroluminescent device comprising organic compound 北京鼎材科技有限公司 2024-05-31 CN claimed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US claimed
CN-110016055-B Organic electroluminescent device and polycyclic compound for organic electroluminescent device 三星显示有限公司 2024-02-23 CN claimed
CN-117551108-A Organic compound and application thereof 北京鼎材科技有限公司 2024-02-13 CN claimed
CN-117466813-A Meta-aminobenzoic acid bisamide compound and intermediate thereof 湖南化工研究院有限公司 2024-01-30 CN claimed
CN-117143084-A Benzotriphenylene derivative, application thereof and organic electroluminescent device comprising benzotriphenylene derivative 北京鼎材科技有限公司 2023-12-01 CN claimed
CN-116925047-A Organic compound and organic electroluminescent device containing same 北京鼎材科技有限公司 2023-10-24 CN claimed
CN-116854598-A Organic compound and application thereof 北京鼎材科技有限公司 2023-10-10 CN claimed
CN-116854597-A Organic compound and application thereof 北京鼎材科技有限公司 2023-10-10 CN claimed
US-4054458-A SUBSTITUTED AMINO-TRIAZINES FUJI PHOTO FILM CO., LTD. (JA) 1977-10-18 US claimed
US-4052553-A BACTERICIDE, ANTIMALARIAL BURROUGHS WELLCOME CO. (US) 1977-10-04 US claimed
US-4042577-A POLYESTERS, POLYAMIDES, CELLULOSE ACETATES SANDOZ LTD. (CH) 1977-08-16 US claimed
US-4021428-A 4-Piperidino-5-oxo-2-pyrazolines FUJI PHOTO FILM CO., LTD. (JA) 1977-05-03 US claimed
US-4005067-A Process for the synthesis of nitrite ion-containing 1:1 complexes of cobalt and metallizable monoazo or azomethine compounds and such complexes SANDOZ LTD. (CH) 1977-01-25 US claimed
US-3998805-A MONOAZO DYES; POLYESTERS; YELLOW, RED, OR ORANGE SHADES CIBA-GEIGY CORPORATION (US) 1976-12-21 US claimed
US-3996192-A ARYLAMINO SALT OF BASIC DYES HOECHST AKTIENGESELLSCHAFT (DT) 1976-12-07 US claimed
US-3983588-A Process for the dyeing or printing and simultaneous finishing of cellulose materials CIBA-GEIGY AG (CH) 1976-10-05 US claimed
US-3959413-A POLYOLEFIN STABILIZERS CIBA-GEIGY CORPORATION (US) 1976-05-25 US claimed
US-3956339-A 4-Pyridinio-5-pyrazolone salts, process for their preparation and their use FUJI PHOTO FILM CO., LTD. (JA) 1976-05-11 US claimed