SCHEMBL7009997

SCHEMBL7009997

CCOc1ccc(C(=O)Nc2ccc3c(c2)C2CCCN2CC3)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
MCL1 Q07820 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
TP53 P04637 3/20 0.50
MAPT P10636 7/20 0.49
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 2/20 0.47

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
Hydrochloric Acid SCHEMBL7016934 0.99 MEN1 (0.51) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7009130 0.90 KCNQ3 (0.50) SMN1; SMN2NPC1LMNAPOLBGAA
SCHEMBL7013968 0.90 TP53 (0.51) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7008578 0.90 MAPT (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7011784 0.90 RAB9A (0.51) MEN1KMT2ASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL7007973 0.89 KCNQ3 (0.49) SMN1; SMN2NPC1LMNAPOLBGAA
Hydrochloric Acid SCHEMBL7006892 0.89 RAB9A (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7008681 0.89 TP53 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7007156 0.88 ROCK2 (0.48) LMNATP53MAPTRORCROCK2
Hydrochloric Acid SCHEMBL7015074 0.88 TP53 (0.47) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP claimed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP claimed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO claimed
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed