SCHEMBL9705817

SCHEMBL9705817

C=CCOc1nc2c(Cl)c(Cl)ccc2nc1C(N)=O.C=CCOc1nc2cc(Cl)c(Cl)cc2nc1C(=O)NC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.31
ATM Q13315 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9703948 0.81 ATM (0.37) HIF1AATMNPC1GAARAB9A
SCHEMBL9704210 0.76 PGK1 (0.36) HIF1AATMNPC1GAARAB9A
SCHEMBL9703450 0.74 GAA (0.43) HIF1AATMGAAALDH1A1
SCHEMBL9704991 0.70 GRIN2D (0.45)
SCHEMBL9703955 0.61 HRH4 (0.43) GAARAB9AALDH1A1
SCHEMBL9703518 0.60 GAA (0.47) ATMNPC1GAARAB9A
SCHEMBL9703688 0.56 NPC1 (0.45) ATMNPC1RAB9AALDH1A1
SCHEMBL11278799 0.56 MMP1 (0.40) ALDH1A1
SCHEMBL4007574 0.55 CDK1 (0.45) ATMGAA
SCHEMBL31186096 0.55 SMN1; SMN2 (0.42) HIF1ANPC1GAARAB9A

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
WO-1992011245-A1 2-ACYLAMIDO DERIVATIVES OF 3,4-DIHYDRO-3-OXO-QUINOXALINE HAVING PHARMACEUTICAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1992-07-09 WO disclosed