SCHEMBL7009245

SCHEMBL7009245

COc1ccc(C(=O)Nc2ccc3c(c2)C2CCCN2CC3(C)C)cc1C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
USP2 O75604 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MCHR1 Q99705 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
HTR1D P28221 1/20 0.39

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 SCHEMBL7847160 0.99 MEN1 (0.42) MEN1KMT2AUSP2RAB9ANPC1
SCHEMBL7011258 0.91 TP53 (0.39) MEN1KMT2AUSP2RAB9ANPC1
SCHEMBL7007120 0.89 NAMPT (0.46) MEN1KMT2AUSP2RAB9ANPC1
Hydrochloric Acid SCHEMBL7011120 0.88 NAMPT (0.46) MEN1KMT2AUSP2RAB9ANPC1
SCHEMBL7012350 0.87 ALDH1A1 (0.43) MEN1KMT2AUSP2RAB9ANPC1
SCHEMBL7011226 0.87 MAPT (0.48) MEN1KMT2AMAPTGAAHTT
Hydrochloric Acid SCHEMBL7845602 0.86 ALDH1A1 (0.42) MEN1KMT2AUSP2RAB9ANPC1
SCHEMBL7012754 0.85 RORC (0.44) MEN1KMT2AUSP2RAB9ANPC1
Hydrochloric Acid SCHEMBL7009820 0.84 RORC (0.44) MEN1KMT2AUSP2RAB9ANPC1
SCHEMBL7012972 0.82 KMT2A (0.43) MEN1KMT2AUSP2RAB9ANPC1

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