SCHEMBL5280460

SCHEMBL5280460

COc1ccc(C(=O)C2CCCCC2)c(N)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 4/20 0.49
CPS1 P31327 1/20 0.49
NOS2 P35228 1/20 0.47
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL1340897 0.87 NOS2 (0.48) KDM2BCPS1NOS2ALDH1A1RAB9A
SCHEMBL1942608 0.82 CPS1 (0.70) KDM2BCPS1MEN1KMT2A
SCHEMBL30514010 0.82 CPS1 (0.70) KDM2BCPS1MEN1KMT2A
SCHEMBL4839335 0.81 KDM2B (0.50) KDM2BCPS1ALDH1A1RAB9ANPC1
SCHEMBL14477305 0.81 KDM2B (0.50) KDM2BCPS1ALDH1A1RAB9ANPC1
SCHEMBL7423445 0.81 KDM2B (0.50) KDM2BCPS1ALDH1A1RAB9ANPC1
SCHEMBL4113759 0.81 MAPT (0.61) KDM2BCPS1ALDH1A1RAB9AKDM4E
SCHEMBL4115692 0.81 KDM2B (0.47) KDM2BCPS1ALDH1A1RAB9ANPC1
SCHEMBL3909614 0.80 KMT2A (0.47) KDM2BALDH1A1RAB9ANPC1MAPT
SCHEMBL16163091 0.79 POLB (0.61) KDM2BCPS1ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO disclosed
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO disclosed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 WO disclosed