SCHEMBL4328145

SCHEMBL4328145

O=C(Nc1ccccc1-n1cccn1)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
TRPV1 Q8NER1 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 6/20 0.42
CYP1A2 P05177 2/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
ELANE P08246 1/20 0.41
RAD51 Q06609 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
MAOB P27338 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40

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
SCHEMBL4330122 0.82 KMT2A (0.47) KMT2AMEN1TRPV1NPC1RAB9A
SCHEMBL2575239 0.77 TRPV1 (0.40) KMT2AMEN1TRPV1ALDH1A1CYP1A2
SCHEMBL895941 0.74 KMT2A (0.55) KMT2AMEN1NPSR1ALDH1A1CYP1A2
SCHEMBL11131276 0.72 LIPE (0.46) KMT2AMEN1RAB9AALDH1A1CYP1A2
SCHEMBL10424370 0.71 NPC1 (0.57) KMT2AMEN1TRPV1NPC1RAB9A
SCHEMBL2397057 0.71 PIK3CD (0.46) KMT2AMEN1TRPV1NPC1RAB9A
SCHEMBL2560126 0.71 MEN1 (0.46) KMT2AMEN1TRPV1NPSR1CYP1A2
SCHEMBL1641651 0.70 KMT2A (0.55) KMT2AMEN1TRPV1NPC1RAB9A
SCHEMBL8154848 0.70 TRPV1 (0.66) KMT2AMEN1TRPV1NPC1RAB9A
SCHEMBL27594823 0.70 MAPK1 (0.51) KMT2AMEN1NPC1ALDH1A1MAPT

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-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed