SCHEMBL7761997

SCHEMBL7761997

O=c1c2ccccc2cnn1CNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ HTT P42858 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PTPRF P10586 1/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL7587363 0.84 NPC1 (0.55) NPC1MITFPKMRAB9AMAPT
SCHEMBL7586423 0.82 NPC1 (0.55) NPC1MITFPKMRAB9AMAPT
SCHEMBL7588481 0.82 NPC1 (0.47) NPC1MITFPKMRAB9AMAPT
SCHEMBL7587542 0.79 NPC1 (0.56) NPC1MITFPKMRAB9AKMT2A
SCHEMBL7590779 0.79 AKR1B1 (0.45) NPC1MITFPKMRAB9AMAPT
SCHEMBL7589532 0.79 NPC1 (0.50) NPC1MITFPKMRAB9AMAPT
SCHEMBL30578356 0.79 KMT2A (0.46) NPC1RAB9AMAPTHTTKMT2A
SCHEMBL7759225 0.78 GAA (0.44) NPC1MITFPKMRAB9AMAPT
SCHEMBL7586791 0.76 NPBWR1 (0.48) NPC1MITFPKMRAB9AMAPT
SCHEMBL28766387 0.74 NPC1 (0.65) NPC1RAB9AHTTKMT2AKDM4E

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-2001082877-A2 USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-11-08 — — WO disclosed
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