SCHEMBL7743677

SCHEMBL7743677

N#Cc1ccc(Cc2ncc(Cn3nnc4ccccc43)[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HIF1A Q16665 1/20 0.49
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
GRM2 Q14416 5/20 0.44
SLC9A1 P19634 2/20 0.44
PTK2 Q05397 4/20 0.43
BRS3 P32247 1/20 0.42
EGLN3 Q9H6Z9 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KCNMA1 Q12791 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL7743707 0.81 CYP1A2 (0.45) MAPTKDM4ETSHRBRS3
SCHEMBL7129739 0.74 BRS3 (0.52) MAPTBRS3RAB9A
SCHEMBL7919393 0.73 BRS3 (0.62) BRS3
SCHEMBL10588302 0.72 BRS3 (0.49) MAPTBRS3RAB9A
SCHEMBL7468902 0.72 HRH3 (0.48) MAPTBRS3RAB9A
SCHEMBL8498703 0.72 BRS3 (0.49) MAPTKDM4EKMT2ABRS3RAB9A
SCHEMBL7505077 0.72 LOXL2 (0.49) MAPTKDM4EBRS3RAB9ACYP2C9
Hydrochloric Acid SCHEMBL8521500 0.72 BRS3 (0.61) BRS3
SCHEMBL8482554 0.71 CYP11B1 (0.57) KMT2ATDP1GRM2SLC9A1
SCHEMBL7744107 0.71 TAAR1 (0.47) KMT2ATSHRBRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP claimed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP claimed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO claimed
EP-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed