SCHEMBL9019517

SCHEMBL9019517

N#Cc1ccsc1-c1sccc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CES1 P23141 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
ALOX15 P16050 2/20 0.34
CYP2A6 P11509 1/20 0.33
RECQL P46063 1/20 0.32
HPGD P15428 1/20 0.32
BLM P54132 1/20 0.32
USP2 O75604 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL6064370 0.81 GRM6 (0.44) PTGS1LMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL5181601 0.78 ADORA2A (0.42) PTGS1SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL1343960 0.78
SCHEMBL765342 0.78
SCHEMBL8280634 0.78 PTGS1 (0.41) PTGS1LMNANPSR1
SCHEMBL8315343 0.78 PTGS2 (0.44) PTGS1NPSR1SMN1; SMN2ALDH1A1KDM4E
Cyanide SCHEMBL11883444 0.76 MAOA (0.43) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL7383345 0.76
SCHEMBL3139164 0.76
SCHEMBL9925244 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118638112-A Quinoid compound, preparation method and application thereof, conjugated polymer containing quinoid unit, preparation method and application thereof and organic field effect transistor device 天津大学 2024-09-13 CN disclosed
US-5510438-A Low bandgap polymers from fused dithiophene diester BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-04-23 US disclosed
US-5315014-A Fused heteroaromatic monomers for preparing low bandgap polymers BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-05-24 US disclosed
US-5274058-A Low bandgap polymers rf fused bithiophenes BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-12-28 US disclosed
WO-1993005077-A2 SUBSTITUTED CYCLOPENTADITHIOPHENE AND LOW BANDGAP POLYMERS THEREFROM BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-03-18 WO disclosed