SCHEMBL9621986

SCHEMBL9621986

O=C(Nc1cccc2ccccc12)Oc1cc2ccccc2cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.58
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 3/20 0.51
GAA P10253 2/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL9622065 0.83 KMT2A (0.53) TRPV1ALDH1A1HPGDKDM4EGAA
SCHEMBL19712932 0.82 TRPV1 (0.54) TRPV1ALDH1A1HPGDKDM4EGAA
SCHEMBL9250804 0.82 KMT2A (0.58) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL1312094 0.80 TRPV1 (0.74) TRPV1ALDH1A1HPGDKDM4EGAA
SCHEMBL7095605 0.79 HSP90AA1 (0.54) ALDH1A1KDM4EGAAKMT2AMAPT
SCHEMBL11882743 0.79 MEN1 (0.53) TRPV1ALDH1A1HPGDKDM4EGAA
SCHEMBL10437772 0.79 NPC1 (0.58) KDM4EGAAKMT2AMAPTNPC1
SCHEMBL9750007 0.77 HSP90AA1 (0.51) ALDH1A1KDM4EGAAKMT2AMAPT
SCHEMBL9253543 0.76 PPARG (0.65) ALDH1A1HPGDKDM4EGAAKMT2A
SCHEMBL11179022 0.75 TRPV1 (0.59) TRPV1ALDH1A1HPGDKDM4EGAA

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
EP-0199973-B1 PROCESS FOR THE PRODUCTION ON THE FIBRE OF WATER INSOLUBLE AZO DYES HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-15 EP disclosed