SCHEMBL28375291

SCHEMBL28375291

CCCCCCCCCCCCC#CC#CCCCCCCCCCNCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
CA3 P07451 1/20 0.46
HMGCR P04035 2/20 0.46
PTPN7 P35236 1/20 0.46
SELP P16109 1/20 0.45
DNM1 Q05193 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
F13A1 P00488 1/20 0.39

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
SCHEMBL2554870 0.92 ALDH1A1 (0.59) RELAALDH1A1TSHRHMGCRPTPN7
SCHEMBL15136181 0.92 ALDH1A1 (0.59) RELAALDH1A1TSHRHMGCRPTPN7
SCHEMBL2555608 0.92 ALDH1A1 (0.59) RELAALDH1A1TSHRHMGCRPTPN7
SCHEMBL2554426 0.92 ALDH1A1 (0.59) RELAALDH1A1TSHRHMGCRPTPN7
SCHEMBL414577 0.92 ALDH1A1 (0.59) RELAALDH1A1TSHRHMGCRPTPN7
SCHEMBL2555119 0.92 ALDH1A1 (0.59) RELAALDH1A1TSHRHMGCRPTPN7
SCHEMBL28352527 0.85 TSHR (0.68) RELAALDH1A1TSHRCA12CA2
SCHEMBL19473291 0.85 TSHR (0.68) RELAALDH1A1TSHRCA12CA2
SCHEMBL4389973 0.84 CYP2C19 (0.52) ALDH1A1TSHRHMGCRPTPN7SELP
SCHEMBL25409467 0.83 ALDH1A1 (0.72) RELAALDH1A1TSHRCA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110920206-B Solvent-free composite positioning anti-counterfeiting transfer paper and preparation method thereof 深圳劲嘉集团股份有限公司 2022-02-08 CN claimed
CN-110920206-A Solvent-free composite positioning anti-counterfeiting transfer paper and preparation method thereof 深圳劲嘉集团股份有限公司 2020-03-27 CN claimed
CN-110920206-B Solvent-free composite positioning anti-counterfeiting transfer paper and preparation method thereof 深圳劲嘉集团股份有限公司 2022-02-08 CN disclosed
CN-110920206-A Solvent-free composite positioning anti-counterfeiting transfer paper and preparation method thereof 深圳劲嘉集团股份有限公司 2020-03-27 CN disclosed