SCHEMBL28117006

SCHEMBL28117006

COCCCc1ncncn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.35
DAO P14920 1/20 0.34
HRH3 Q9Y5N1 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 2/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL28533907 0.86 ALDH1A1 (0.32) ALDH1A1MAPK1LMNAUSP2CYP1A2
SCHEMBL20200849 0.75 APLNR (0.43) TLR7DAOALDH1A1MAPK1HSD17B10
SCHEMBL28286165 0.75 LMNA (0.32) LMNA
SCHEMBL1864672 0.75 HRH3 (0.39) HRH3ALDH1A1MAPK1LMNAHTT
SCHEMBL306173 0.73 TDP1 (0.39) HRH3ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL2708603 0.71 KCNH2 (0.42) ALDH1A1LMNASMN1; SMN2USP2CYP3A4
SCHEMBL27794520 0.71 KCNH2 (0.42) ALDH1A1LMNASMN1; SMN2USP2CYP3A4
SCHEMBL20747030 0.71 KCNH2 (0.42) ALDH1A1LMNASMN1; SMN2USP2CYP3A4
SCHEMBL20499801 0.71 KCNH2 (0.42) ALDH1A1LMNASMN1; SMN2USP2CYP3A4
SCHEMBL28091635 0.71 KCNH2 (0.42) ALDH1A1LMNASMN1; SMN2USP2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106381182-B A kind of liquid-absorbant and its application for removing hydrogen sulfide 中国石油化工股份有限公司 2019-04-19 CN claimed
CN-106381182-A Liquid absorbent for removing hydrogen sulfide and application thereof 中国石油化工股份有限公司 2017-02-08 CN claimed