SCHEMBL18965745

SCHEMBL18965745

Cc1cc2sc(N)cc2s1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 3/20 0.34
RXFP1 Q9HBX9 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NOS1 P29475 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL5039885 0.83 BACE1 (0.39) BACE1
SCHEMBL119523 0.83 ALDH1A1 (0.42) ALDH1A1RXFP1HSD17B10MEN1MAPT
SCHEMBL22993520 0.78 BACE1 (0.46) BACE1ALDH1A1HSD17B10MAPTTP53
SCHEMBL21515261 0.77 PKM (0.40) RXFP1PKMNPSR1
SCHEMBL18407859 0.75 BACE1 (0.43) BACE1ALDH1A1TP53CYP3A4TSHR
SCHEMBL23280830 0.75 PKM (0.39) RXFP1PKMNPSR1
SCHEMBL20230832 0.73 ALDH1A1 (0.40) BACE1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL18965671 0.73 ALDH1A1 (0.40) BACE1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL13032428 0.73 CYP2A6 (0.45) ALDH1A1RXFP1PKMNPSR1
SCHEMBL14479816 0.72 ALDH1A1 (0.37) ALDH1A1RXFP1HSD17B10PKMNPSR1

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
EP-3551635-B1 THIENO-INDENO-MONOMERS AND POLYMERS BASF SE (DE) 2021-04-28 EP disclosed
EP-3380541-B1 DEGRADABLE CONJUGATED POLYMERS UNIV LELAND STANFORD JUNIOR (US) 2020-04-29 EP disclosed
EP-3386989-B1 NAPHTHOINDACENODITHIOPHENES AND POLYMERS BASF SE (DE) 2019-10-23 EP disclosed
WO-2018104367-A2 THIENO-INDENO-MONOMERS AND POLYMERS BASF SE (DE) 2018-06-14 WO disclosed
WO-2017097924-A1 NAPHTHOINDACENODITHIOPHENES AND POLYMERS BASF SE (DE) 2017-06-15 WO disclosed