SCHEMBL8517709

SCHEMBL8517709

CCc1cc2ccccc2c(S)c1CC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 1/20 0.39
HTR2A P28223 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
TSHR P16473 1/20 0.36
NCEH1 Q6PIU2 1/20 0.36
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2A6 P11509 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
ME2 P23368 1/20 0.34
ME1 P48163 1/20 0.34
ME3 Q16798 1/20 0.34

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
SCHEMBL2126142 0.82 HTR2A (0.47) ATMALDH1A1KDM4EMAPTHTR2A
SCHEMBL9194974 0.81 HTR2A (0.45) ATMALDH1A1KDM4EMAPTHTR2A
Lithium SCHEMBL9194981 0.81 HTR2A (0.45) ATMALDH1A1KDM4EMAPTHTR2A
SCHEMBL3560104 0.79 ATM (0.41) ATMALDH1A1KDM4EMAPTHTR2A
SCHEMBL2126035 0.79 ATM (0.41) ATMALDH1A1KDM4EMAPTHTR2A
SCHEMBL8517403 0.79 GPR84 (0.46) ATMALDH1A1KDM4EMAPTHTR2A
SCHEMBL3892477 0.78 HTR2A (0.42) ATMALDH1A1KDM4EMAPTHTR2A
SCHEMBL3957770 0.78 POLB (0.44) ATMGPR84NCEH1ME2ME1
SCHEMBL8375000 0.77 ATM (0.41) ATMALDH1A1KDM4EMAPTHTR2A
SCHEMBL8372799 0.76 ATM (0.43) ATMALDH1A1KDM4EMAPTHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1808273-B Photosensitive resin composition, thin film panel made with photosensitive resin composition, and method for manufacturing thin film panel SAMSUNG ELECTRONICS CO LTD 2012-12-26 CN disclosed
EP-0896050-A1 Lubricating oil composition comprising a specific base oil and an oxidation inhibitor NIPPON OIL CO., LTD. (JP) 1999-02-10 EP disclosed
US-4052463-A PROCESS FOR PREPARING TERTIARY PHOSPHINE SULFIDES AND OXIDES STAUFFER CHEMICAL COMPANY (US) 1977-10-04 US disclosed