SCHEMBL7574828

SCHEMBL7574828

COc1ccc(-c2ccc(-c3ccc(OC)cc3)c(C#N)c2C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
KDM4E B2RXH2 5/20 0.55
NPSR1 Q6W5P4 5/20 0.55
MEN1 O00255 4/20 0.55
RXFP1 Q9HBX9 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
ADORA1 P30542 3/20 0.54
ALDH1A1 P00352 6/20 0.54
MAPT P10636 5/20 0.54
HPGD P15428 4/20 0.54
NPC1 O15118 1/20 0.54
CRHBP P24387 1/20 0.54
RAB9A P51151 1/20 0.54
CRHR2 Q13324 1/20 0.54
SQOR Q9Y6N5 1/20 0.53
GAA P10253 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
GRM2 Q14416 1/20 0.50

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
SCHEMBL10578467 0.88 KDM4E (0.50) KMT2AKDM4ENPSR1MEN1RXFP1
SCHEMBL10578557 0.85 MAPT (0.49) KMT2AKDM4ENPSR1MEN1RXFP1
SCHEMBL10583278 0.85 KDM4E (0.48) KMT2AKDM4ENPSR1MEN1RXFP1
SCHEMBL11033832 0.84 MAPT (0.46) KMT2AKDM4ENPSR1MEN1RXFP1
SCHEMBL10579450 0.82 HSD17B10 (0.56) KMT2AKDM4ENPSR1MEN1RXFP1
SCHEMBL10581651 0.82 KDM4E (0.53) KMT2AKDM4ENPSR1MEN1RXFP1
SCHEMBL11033840 0.82 MAPT (0.44) KMT2AKDM4ENPSR1MEN1RXFP1
SCHEMBL10576612 0.82 HSD17B10 (0.56) KMT2AKDM4ENPSR1MEN1RXFP1
SCHEMBL11030920 0.81 CASP3 (0.45) KMT2AKDM4ENPSR1MEN1RXFP1
SCHEMBL11032654 0.80 CASP3 (0.44) KMT2AKDM4ENPSR1MEN1RXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002096913-A1 SUBSTITUTED DI(HYDROXY/ALKOXY)SILICON PHTHALOCYANINES AND THEIR USES GENTIAN AS (NO) 2002-12-05 WO disclosed
EP-1238016-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS Gentian AS (NO) 2002-09-11 EP disclosed
WO-2001042368-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS GENTIAN AS (NO) 2001-06-14 WO disclosed