SCHEMBL9700058

SCHEMBL9700058

S=C(Oc1ccccc1)c1csc(-c2nc3n(c2-c2ccncc2)CCC3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.42
PDE10A Q9Y233 1/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 6/20 0.35
HTT P42858 3/20 0.35
THRB P10828 1/20 0.35
HSD17B10 Q99714 4/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
CSNK1D P48730 2/20 0.33
CSNK1E P49674 2/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL9198377 0.79 PDE10A (0.45) TGFBR1PDE10ANPC1RAB9AKDM4E
SCHEMBL9204502 0.76 PDE10A (0.43) TGFBR1PDE10ANPC1RAB9AKDM4E
SCHEMBL9700052 0.76 PDE10A (0.47) TGFBR1PDE10ANPC1RAB9AKDM4E
SCHEMBL9698891 0.76 POLB (0.44) TGFBR1PDE10ANPC1RAB9AKDM4E
SCHEMBL7352500 0.74 PDE10A (0.51) TGFBR1PDE10ANPC1RAB9AKDM4E
SCHEMBL9752587 0.74 PDE10A (0.60) TGFBR1PDE10ANPC1RAB9AKDM4E
SCHEMBL9524943 0.72 TGFBR1 (0.46) TGFBR1PDE10ANPC1RAB9AKDM4E
SCHEMBL7376928 0.72 PDE10A (0.46) TGFBR1PDE10ANPC1RAB9AKDM4E
SCHEMBL9700065 0.72 PDE10A (0.44) TGFBR1PDE10ANPC1RAB9AKDM4E
SCHEMBL9700106 0.71 PDE10A (0.47) TGFBR1PDE10ANPC1RAB9AKDM4E

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-5145858-A Antiinflammatory SMITHKLINE BEECHAM CORP. (US) 1992-09-08 US disclosed
US-5002941-A Antiarthritic agents, arachidonic acid metabolism SMITHKLINE BEECHAM CORPORATION (US) 1991-03-26 US disclosed
WO-1990003789-A1 PYRROLO[1,2-a]IMIDAZOLE AND IMIDAZO[1,2-a]PYRIDINE DERIVATIVES AND THEIR USE AS 5-LYPOXYGENASE PATHWAY INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-04-19 WO disclosed
EP-0364204-A1 Pyrrolo[1,2-a]imidazole and imidazo[1,2-a]pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1990-04-18 EP disclosed