SCHEMBL11736748

SCHEMBL11736748

CCc1c(-c2ccc(Cl)cc2)[nH]c(=S)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 5/20 0.43
POLB P06746 1/20 0.42
SIRT2 Q8IXJ6 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
SMPD3 Q9NY59 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
SERPINE1 P05121 1/20 0.39
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL6300081 0.84 SIRT1 (0.54) SIRT1POLBSIRT2CYP1A2CYP3A4
SCHEMBL11733046 0.76 TRPV1 (0.43) POLBHSD17B10TSHRTRPV1SERPINE1
SCHEMBL11207480 0.75 POLB (0.50) POLBCYP1A2HSD17B10TSHRSERPINE1
SCHEMBL7089988 0.74 POLB (0.55) SIRT1POLBHSD17B10TRPV1SERPINE1
SCHEMBL7092828 0.72 ALDH1A1 (0.55) SIRT1SIRT2CYP1A2CYP3A4CYP2C19
SCHEMBL28485599 0.72 POLB (0.73) POLBSERPINE1KDM4EALDH1A1HPGD
SCHEMBL7093919 0.72 ALDH1A1 (0.55) SIRT1SIRT2CYP1A2CYP3A4CYP2C19
SCHEMBL16972729 0.70 KCNH2 (0.56) CYP1A2CYP3A4CYP2C19HSD17B10SERPINE1
SCHEMBL11448238 0.69 ALDH1A1 (0.61) NPC1RAB9AKDM4EALDH1A1
SCHEMBL1687634 0.68 MAPK14 (0.51) CYP1A2CYP3A4CYP2C19HSD17B10CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4002479-A ORGANIC SILVER SALT, SILVER HALIDE, AND A REDUCING AGENT FUJI PHOTO FILM CO., LTD. (JA) 1977-01-11 US claimed