SCHEMBL11645802

SCHEMBL11645802

Cc1ccc(-c2cc3c(ccc4ccccc43)o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.60
TNKS O95271 1/20 0.60
PARP1 P09874 1/20 0.60
TNKS2 Q9H2K2 1/20 0.60
PARP2 Q9UGN5 1/20 0.60
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.51
PAX8 Q06710 2/20 0.51
ABCG2 Q9UNQ0 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
FYN P06241 1/20 0.51
MAPK3 P27361 1/20 0.51
AHR P35869 1/20 0.51
RAB9A P51151 2/20 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
SCHEMBL11644851 0.86 CYP1A1 (0.66) MAOBTNKSPARP1TNKS2KDM4E
SCHEMBL11647508 0.84 TNKS (0.60) TNKSKDM4EMAPTPAX8ABCG2
SCHEMBL11643881 0.84 MAOB (0.63) MAOBTNKSKDM4EMAPTPAX8
SCHEMBL11647907 0.84 PAX8 (0.51) KDM4EMAPTPAX8ABCG2HPGD
SCHEMBL11645163 0.84 GABRP (0.60) MAOBTNKSPARP1TNKS2KDM4E
SCHEMBL1740996 0.83 ABCG2 (0.71) MAOBTNKSKDM4EMAPTABCG2
SCHEMBL28031347 0.83 ABCG2 (0.48) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL11645915 0.83 TNKS (0.63) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL12278322 0.83 MAOB (0.62) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL24368454 0.83 NISCH (0.51) TNKSKDM4EMAPTPAX8ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4111962-A Certain substituted 2-phenylnaphtho[1,2-b]furane and -[2,1-b]furane STERLING DRUG INC. (US) 1978-09-05 US disclosed
US-3993645-A Stilbene optical brighteners and compositions brightened therewith STERLING DRUG INC. (US) 1976-11-23 US disclosed
US-3974144-A BENZOFURAN, BENZOTHIOPHENE, NAPHTHOFURAN, OPTICAL BRIGHTENER STERLING DRUG INC. (US) 1976-08-10 US disclosed
US-3932301-A NYLON, POLYESTERS STERLING DRUG INC. (US) 1976-01-13 US disclosed