SCHEMBL29560732

SCHEMBL29560732

COc1ccc(CSc2cc(C)ccc2Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.45
ACHE P22303 2/20 0.44
BCHE P06276 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
LMNA P02545 1/20 0.43
MMP13 P45452 1/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL19308137 1.00 APP (0.45) APPACHEBCHECYP1A2CYP2E1
SCHEMBL19297784 0.89 APP (0.49) APPCYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL2802030 0.80 CYP2E1 (0.49) ACHECYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL31011604 0.80 APP (0.49) APPMAOBMAOALMNATSHR
SCHEMBL10687383 0.78 APP (0.58) APPCYP3A4MAOBMAOALMNA
SCHEMBL9431593 0.76 BCHE (0.49) APPACHEBCHECYP1A2CYP2E1
SCHEMBL17080182 0.76 KDM4E (0.46) ACHEBCHECYP1A2CYP2D6CYP2C9
SCHEMBL190757 0.74 TSHR (0.42) APPCYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL28526426 0.74 APP (0.72) APPACHEBCHECYP1A2CYP2E1
SCHEMBL17080116 0.73 KDM4E (0.46) ACHEBCHECYP1A2CYP2D6CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269756-B 4-Oxo-3, 4-dihydropyrido [3,4-D ] pyrimidine compounds that inhibit EIF4E 效应疗法股份有限公司 2024-05-14 CN disclosed
EP-3994139-A1 EIF4E-INHIBITING 4-OXO-3,4-DIHYDROPYRIDO[3,4-D]PYRIMIDINE COMPOUNDS Effector Therapeutics Inc. (US) 2022-05-11 EP disclosed
CN-114269756-A 4-oxo-3, 4-dihydropyrido [3,4-D ] pyrimidine compounds inhibiting EIF4E 效应疗法股份有限公司 2022-04-01 CN disclosed