SCHEMBL8624653

SCHEMBL8624653

[LiH].c1ccc(C2CSCCS2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
BRD4 O60885 1/20 0.35
MAOB P27338 7/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOA P21397 6/20 0.31
KDM1A O60341 4/20 0.31
CYP2C19 P33261 4/20 0.31
CYP2B6 P20813 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2A6 P11509 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 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
SCHEMBL513026 0.98 TSHR (0.38) TSHRBRD4MAOBALDH1A1HSD17B10
SCHEMBL383636 0.79
SCHEMBL28529394 0.79
SCHEMBL27305409 0.78 MAPT (0.43) MAOBMAOAHTR2C
SCHEMBL27300497 0.78 POLB (0.33) SMN1; SMN2MAOALMNACYP2A6SLC6A2
SCHEMBL5574180 0.78 ALDH1A1 (0.36) ALDH1A1HSD17B10MAOAKDM1ACYP2C9
SCHEMBL27871634 0.77 TSHR (0.40) TSHRMAOBALDH1A1HSD17B10SMN1; SMN2
SCHEMBL3949365 0.76 L3MBTL1 (0.47) TSHRALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL14675631 0.76
SCHEMBL27306688 0.76 KDM4E (0.41) MAOBMAOAKDM1ACYP2D6SLC6A2

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-101979415-B Polyhedral-modified polymer BRIDGESTONE CORP 2012-06-13 CN disclosed
CN-101979415-A Polyhedral-modified polymer BRIDGESTONE CORP 2011-02-23 CN disclosed
CN-101094892-B Polyhedral Modified Polymers BRIDGESTONE CORP 2010-12-08 CN disclosed
CN-101094892-A Polyhedral Modified Polymers BRIDGESTONE CORP (JP) 2007-12-26 CN disclosed
US-5767288-A DITHIANE-BENZOIN ADDUCTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-06-16 US disclosed