SCHEMBL4330122

SCHEMBL4330122

O=C(Nc1ccccc1-n1nccn1)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
TRPV1 Q8NER1 1/20 0.46
NPSR1 Q6W5P4 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 8/20 0.45
CYP1A2 P05177 3/20 0.45
MAPT P10636 3/20 0.44
RAD51 Q06609 1/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 3/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
ATM Q13315 1/20 0.43
MAOB P27338 1/20 0.43
THRB P10828 1/20 0.41
GFER P55789 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL4328145 0.82 KMT2A (0.44) KMT2AMEN1TRPV1NPSR1NPC1
SCHEMBL4454936 0.81 ABCB1 (0.40) KMT2AMEN1NPSR1ALDH1A1MAPT
SCHEMBL896877 0.77 ALDH1A1 (0.59) KMT2AMEN1NPSR1RAB9AALDH1A1
SCHEMBL10424370 0.74 NPC1 (0.57) KMT2AMEN1TRPV1NPSR1NPC1
SCHEMBL8154848 0.73 TRPV1 (0.66) KMT2AMEN1TRPV1NPSR1NPC1
SCHEMBL1641651 0.73 KMT2A (0.55) KMT2AMEN1TRPV1NPSR1NPC1
SCHEMBL22543183 0.72 MALT1 (0.47) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL896526 0.72 ALDH1A1 (0.50) KMT2AMEN1NPSR1ALDH1A1CYP1A2
SCHEMBL896116 0.72 NPC1 (0.54) KMT2AMEN1TRPV1NPSR1NPC1
SCHEMBL896310 0.72 SMN1; SMN2 (0.57) KMT2AMEN1NPC1RAB9AALDH1A1

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