SCHEMBL7996941

SCHEMBL7996941

c1ccc(NOCc2cccc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
EPHX1 P07099 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
ATM Q13315 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CDC25B P30305 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL9463543 0.77 ATM (0.44) MEN1KMT2AMAPTTDP1CYP1A2
SCHEMBL31012122 0.74 CYP1A2 (0.56) MEN1KMT2ATDP1CYP1A2CYP2C19
SCHEMBL4850585 0.74 CYP1A2 (0.56) MEN1KMT2ATDP1CYP1A2CYP2C19
SCHEMBL22169095 0.74 ALDH1A1 (0.39) MEN1KMT2AMAPTTDP1CYP1A2
SCHEMBL31634194 0.74 ALDH1A1 (0.54) MEN1KMT2AMAPTTDP1CYP1A2
SCHEMBL29237167 0.74 NPC1 (0.50) MEN1KMT2ATDP1CYP1A2CYP2C19
SCHEMBL13316754 0.73 MEN1 (0.36) MEN1KMT2AMAPTCYP1A2ALDH1A1
SCHEMBL9641021 0.72 ALDH1A1 (0.61) MEN1KMT2ATDP1EPHX1SLC1A3
SCHEMBL29816145 0.72 MAPT (0.58) MEN1KMT2AMAPTTDP1CYP1A2
SCHEMBL5609808 0.72 NPC1 (0.64) MEN1KMT2AMAPTTDP1CYP1A2

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
EP-0817629-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-03-08 EP disclosed
EP-0817629-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-14 EP disclosed
US-5631280-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1997-05-20 US disclosed
WO-1996030014-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO disclosed