SCHEMBL7837699

SCHEMBL7837699

CCOC(=O)CC(NC(=O)CNC(=O)c1cccc(NC(=N)N)c1)c1cc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.50
NPC1 O15118 8/20 0.50
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TP53 P04637 4/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
CASP3 P42574 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PKM P14618 2/20 0.39
MAOA P21397 1/20 0.38
MDM4 O15151 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
SCHEMBL6777182 0.88 RXFP1 (0.52) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL3839471 0.86 GPR139 (0.47) MEN1KMT2AMDM4ITGB3ITGB1
SCHEMBL7337752 0.86 NPC1 (0.44) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL7341726 0.84 GPR139 (0.42) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL7838133 0.83 F2 (0.38) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL7835632 0.83 ITGB3 (0.49) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL7340341 0.82 F7 (0.41) MEN1KMT2ASMN1; SMN2LMNAITGB3
SCHEMBL7340506 0.82 ITGB3 (0.49) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL7338356 0.82 SMN1; SMN2 (0.44) NPC1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL7344055 0.82 F7 (0.46) MAPTSMN1; SMN2ALDH1A1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed