SCHEMBL5762283

SCHEMBL5762283

OCc1cnc2cc(-c3cccs3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
FYN P06241 2/20 0.43
HDAC2 Q92769 1/20 0.41
LTA4H P09960 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
MAPK10 P53779 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL5762231 0.86 PDGFRB (0.45) PDGFRBPDGFRAHDAC2LTA4HNPC1
SCHEMBL5759772 0.78 MCHR1 (0.45) PDGFRBPDGFRACYP11B1CYP11B2GAA
SCHEMBL5757744 0.77 MGAM (0.54) PDGFRBPDGFRAHDAC2NPC1SMN1; SMN2
SCHEMBL27402367 0.75 PDGFRB (0.58) PDGFRBPDGFRAFYNNPC1RAB9A
SCHEMBL29021840 0.73 CYP2A6 (0.51) PDGFRBPDGFRAFYNHDAC2LTA4H
SCHEMBL30423885 0.73 CYP2A6 (0.51) PDGFRBPDGFRAFYNHDAC2LTA4H
SCHEMBL5757063 0.73 MAOB (0.53) PDGFRBPDGFRAHDAC2NPC1RAB9A
SCHEMBL5765234 0.71 LTA4H (0.68) FYNHDAC2LTA4HCYP17A1CYP11B1
SCHEMBL16532869 0.71 PDGFRB (0.59) PDGFRBPDGFRALTA4HNPC1RAB9A
SCHEMBL485305 0.71 FYN (0.45) FYNLTA4HNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270571-B1 Heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL (JP) 2006-09-06 EP disclosed
EP-1270571-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP disclosed
CN-1349990-A Heterocyclic compound, its preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-05-22 CN disclosed
CN-1077107-C Heterocyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-02 CN disclosed
US-6211215-B1 AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
CN-1223653-A Heterocyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-21 CN disclosed
EP-0912562-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-05-06 EP disclosed
WO-1998003505-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-29 WO disclosed