SCHEMBL11250028

SCHEMBL11250028

CCCCCSc1nc(Nc2cc(C)c(O)c(C)c2)nc(SCCCCC)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 7/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ G6PD P11413 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL2211671 0.99 GPR84 (0.39) GPR84SMN1; SMN2MEN1GAAG6PD
SCHEMBL1564869 0.88 CYP1A2 (0.35) GPR84SMN1; SMN2GAACCNE1CDK2
SCHEMBL29535811 0.88 CYP1A2 (0.35) GPR84SMN1; SMN2GAACCNE1CDK2
SCHEMBL15488091 0.84 MEN1 (0.41) SMN1; SMN2MEN1GAAG6PDKMT2A
SCHEMBL29557368 0.83 CCNE1 (0.40) GPR84SMN1; SMN2MEN1GAAKMT2A
SCHEMBL1925518 0.83 GPR84 (0.37) GPR84SMN1; SMN2CCNE1CDK2ALDH1A1
SCHEMBL11360256 0.82 PTGS1 (0.38) GPR84SMN1; SMN2MEN1GAAKMT2A
SCHEMBL3768948 0.82 MAPK1 (0.37) GPR84SMN1; SMN2MEN1GAAKMT2A
SCHEMBL38965 0.82 PTGS1 (0.38) GPR84SMN1; SMN2MEN1GAAKMT2A
SCHEMBL11702871 0.82 PTGS1 (0.38) GPR84SMN1; SMN2MEN1GAAKMT2A

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-109407470-B Method for improving surface curing in digital flexographic printing plates 麦克德米德图像方案股份有限公司 2021-10-08 — — CN claimed
US-9329480-B2 Method of improving surface cure in digital flexographic printing plates MACDERMID GRAPHICS SOLUTIONS, LLC 2016-05-03 — — US claimed
US-4341879-A Polyphenylene ether resin composition having improved heat stability and impact strength MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-07-27 — — US disclosed
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