SCHEMBL9305500

SCHEMBL9305500

Nc1ccc(C(Cl)(Cl)Cl)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.50
HSD17B10 Q99714 4/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 4/20 0.43
ALDH1A1 P00352 4/20 0.42
PKM P14618 1/20 0.42
RECQL P46063 1/20 0.42
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
AR P10275 1/20 0.39
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL9308489 0.82 ALDH1A1 (0.63) ALOX15HSD17B10GAAMEN1MAPT
SCHEMBL3485065 0.78 TSHR (0.48) ALOX15HSD17B10CYP3A4GAAMEN1
SCHEMBL29397448 0.77 ESR1 (0.56) ALOX15HSD17B10CYP3A4GAAMEN1
SCHEMBL1024107 0.77 MAPT (0.69) ALOX15HSD17B10CYP3A4GAAMEN1
SCHEMBL6823132 0.77 ALDH1A1 (0.50) ALOX15HSD17B10CYP3A4GAAMEN1
SCHEMBL565076 0.77 ESR1 (0.56) ALOX15HSD17B10CYP3A4GAAMEN1
SCHEMBL3947426 0.77 HSD17B10 (0.50) ALOX15HSD17B10CYP3A4GAAMEN1
SCHEMBL1025296 0.77 ALDH1A1 (0.50) ALOX15HSD17B10CYP3A4GAAMEN1
SCHEMBL29412591 0.77 ESR1 (0.56) ALOX15HSD17B10CYP3A4GAAMEN1
SCHEMBL28826937 0.77 ALDH1A1 (0.39) ALOX15HSD17B10GAAMEN1MAPT

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-5324808-A Polybenzimidazoles, polybenzoazoles or polybenzothiazoles THE DOW CHEMICAL COMPANY (US) 1994-06-28 US disclosed
US-5235023-A Forming polybenzimidazoles, polybenzthiazoles and polybenz-oxazoles; disodium or dilithium terephthalate monomer THE DOW CHEMICAL COMPANY (US) 1993-08-10 US disclosed
EP-0449811-A1 IMPROVED PROCESS FOR SYNTHESIS OF HETEROCYCLIC POLYMERS THE DOW CHEMICAL COMPANY (US) 1991-10-09 EP disclosed
WO-1990006960-A1 IMPROVED PROCESS FOR SYNTHESIS OF HETEROCYCLIC POLYMERS THE DOW CHEMICAL COMPANY (US) 1990-06-28 WO disclosed