SCHEMBL9557019

SCHEMBL9557019

Sc1cccc(Sc2cccc(S)c2)c1.Sc1ccccc1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
HTR2C P28335 2/20 0.34
HTR6 P50406 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 4/20 0.31
HSD17B10 Q99714 2/20 0.31
MAPK1 P28482 2/20 0.31
HPGD P15428 1/20 0.31
BCL2L1 Q07817 1/20 0.31
CYP2A6 P11509 1/20 0.31
MAPT P10636 3/20 0.31
KDM4E B2RXH2 1/20 0.31
NSD2 O96028 1/20 0.31
SLC6A4 P31645 1/20 0.31
XBP1 P17861 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL7185992 0.81 HTR2C (0.47) BCL2MCL1HTR2CHTR6MAOA
SCHEMBL3904220 0.80 MEN1 (0.40) MAOAMAOBBACE1ALDH1A1HSD17B10
SCHEMBL7195115 0.79 HTR2C (0.46) BCL2MCL1HTR2CHTR6MAOA
Benzenethiol SCHEMBL7134302 0.79 ALDH1A1 (0.42) BACE1ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL7192675 0.79 HTR2C (0.38) BCL2MCL1HTR2CHTR6MAOA
SCHEMBL4812560 0.79 MEN1 (0.39) MAOAMAOBBACE1ALDH1A1HSD17B10
SCHEMBL7195051 0.77 CYP2A6 (0.41) MAOBCYP2A6RAB9AKMT2AADORA2A
SCHEMBL164357 0.77 ALDH1A1 (0.48) BACE1ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL28494037 0.77 MAOA (0.47) BCL2MCL1HTR2CHTR6MAOA
SCHEMBL3893272 0.74 ALDH1A1 (0.46) BACE1ALDH1A1HSD17B10MAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5271858-A Field dependent fluids containing electrically conductive tin oxide coated materials ENSCI INC. (US) 1993-12-21 US disclosed
US-3939084-A Functional fluid compositions containing substituted pyrimidines MONSANTO COMPANY (US) 1976-02-17 US disclosed