SCHEMBL8108412

SCHEMBL8108412

O=c1cc(CBr)ccn1-c1cncc(Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL8098848 0.73 IDO1 (0.33)
SCHEMBL8108625 0.70 CYP11B1 (0.47) CYP3A4
SCHEMBL27745012 0.64 BIRC5 (0.49) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL1742996 0.61 TUBB4A (0.36) KDM4EALDH1A1CYP2C9CYP2C19
SCHEMBL31014788 0.59 ALDH1A1 (0.52) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL24069747 0.59 MAPK14 (0.56) KDM4EALDH1A1
SCHEMBL3663584 0.58
SCHEMBL1599285 0.57 ALDH1A1 (0.47) KDM4EALDH1A1CYP3A4CYP2C19
SCHEMBL7490880 0.57 ALDH1A1 (0.62) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL17609637 0.57 KDM4E (0.44) KDM4EMEN1ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6093737-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 2000-07-25 US disclosed
EP-1003374-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-05-31 EP disclosed
EP-1003374-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-05-31 EP disclosed
WO-1998028980-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO disclosed