SCHEMBL14636124

SCHEMBL14636124

CCCCCCCCCCCCCCCC(Br)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
CSNK1E P49674 1/20 0.44
CYP19A1 P11511 3/20 0.43
SIGMAR1 Q99720 1/20 0.43
NAAA Q02083 2/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
OPRL1 P41146 2/20 0.42
KCNH2 Q12809 2/20 0.41
ASAH1 Q13510 2/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ACER2 Q5QJU3 1/20 0.40

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
SCHEMBL27806681 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL7573099 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL27692872 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL11806604 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL2404354 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL6681848 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL6685358 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL8728015 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL22734895 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL28516127 0.98 HTR2A (0.44) HTR2ACSNK1ECYP19A1SIGMAR1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112646559-A Sand carrying fluid with functions of improving flow resistance of thickened oil and stabilizing clay 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-112646559-A Sand carrying fluid with functions of improving flow resistance of thickened oil and stabilizing clay 中国石油化工股份有限公司 2021-04-13 CN disclosed
US-9761805-B2 Organic semiconductors MERCK PATENT GMBH (DE) 2017-09-12 US disclosed
EP-2734528-B1 ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2017-03-29 EP disclosed
CN-103649096-B Organic semiconductor 默克专利股份有限公司 2016-12-07 CN disclosed
CN-104583267-A Conjugated polymers MERCK PATENT GMBH 2015-04-29 CN disclosed
US-20140158949-A1 ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2014-06-12 US disclosed
EP-2734528-A2 ORGANIC SEMICONDUCTORS Merck Patent GmbH (DE) 2014-05-28 EP disclosed
CN-103649096-A Organic semiconductors MERCK PATENT GMBH 2014-03-19 CN disclosed
WO-2013010614-A2 ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2013-01-24 WO disclosed