SCHEMBL12685604

SCHEMBL12685604

O=C1c2ccccc2C(O)N1c1ccc2ccc(Cl)nc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 3/20 0.53
PKM P14618 3/20 0.53
TP53 P04637 2/20 0.53
STAT3 P40763 1/20 0.53
STAT1 P42224 1/20 0.53
ALDH1A1 P00352 6/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 2/20 0.35
IDO1 P14902 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL7326994 1.00 RAB9A (0.53) RAB9ASMN1; SMN2NPC1PKMTP53
SCHEMBL7327518 0.86 ALDH1A1 (0.41) RAB9ASMN1; SMN2NPC1PKMTP53
SCHEMBL10552833 0.85 RAB9A (0.41) RAB9ASMN1; SMN2NPC1PKMTP53
SCHEMBL10553648 0.85 RAB9A (0.41) RAB9ASMN1; SMN2NPC1PKMTP53
SCHEMBL7336261 0.85 RAB9A (0.53) RAB9ASMN1; SMN2NPC1PKMTP53
SCHEMBL7329335 0.85 RAB9A (0.63) RAB9ASMN1; SMN2NPC1PKMTP53
SCHEMBL7326712 0.85 RAB9A (0.53) RAB9ASMN1; SMN2NPC1PKMTP53
SCHEMBL11752090 0.83 RAB9A (0.36) RAB9ASMN1; SMN2NPC1PKMTP53
SCHEMBL11754409 0.83 RAB9A (0.36) RAB9ASMN1; SMN2NPC1PKMTP53
SCHEMBL11754030 0.83 NPC1 (0.36) RAB9ASMN1; SMN2NPC1PKMTP53

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-2012116288-A1 2-AMINO-NAPHTHYRIDINE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2012-08-30 WO disclosed
US-7304158-B2 Method for making 2-(7-chloro-1,8-naphthyridine-2-yl)-3-(5-methyl-2-oxo-hexyl)-1-isoindolinone) INDEVUS PHARMACEUTICALS, INC. (US) 2007-12-04 US disclosed
US-7304158-B2 Method for making 2-(7-chloro-1,8-naphthyridine-2-yl)-3-(5-methyl-2-oxo-hexyl)-1-isoindolinone) INDEVUS PHARMACEUTICALS, INC. (US) 2007-12-04 US disclosed