SCHEMBL31353033

SCHEMBL31353033

COCCOCCOCCN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](CCOCCOCCOC)c4ccc(S(=O)(=O)O)cc4C3(C)C)=C2Cl)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.45
HTR1A P08908 1/20 0.42
PTPN1 P18031 1/20 0.40
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
FOLR1 P15328 5/20 0.37
PRMT1 Q99873 3/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
PRMT5 O14744 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
ADORA1 P30542 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL26207804 0.89 FOLH1 (0.41) FOLH1HTR1APTPN1DPP8DPP9
SCHEMBL26207782 0.88 FOLH1 (0.44) FOLH1HTR1APTPN1DPP8DPP9
SCHEMBL18263260 0.83 PTPN1 (0.57) FOLH1HTR1APTPN1FOLR1PRMT1
SCHEMBL15095695 0.83 PTPN1 (0.57) FOLH1HTR1APTPN1FOLR1PRMT1
SCHEMBL18263258 0.83 PTPN1 (0.57) FOLH1HTR1APTPN1FOLR1PRMT1
Water SCHEMBL17099467 0.83 PTPN1 (0.57) FOLH1HTR1APTPN1FOLR1PRMT1
Water SCHEMBL17099468 0.83 PTPN1 (0.57) FOLH1HTR1APTPN1FOLR1PRMT1
Water SCHEMBL30750796 0.83 PTPN1 (0.57) FOLH1HTR1APTPN1FOLR1PRMT1
SCHEMBL16609775 0.83 PTPN1 (0.53) FOLH1HTR1APTPN1FOLR1PRMT1
SCHEMBL14272549 0.82 PRMT1 (0.50) FOLH1HTR1APTPN1FOLR1PRMT1

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
CN-119390778-A Zwitterionic fluorescent probe based on click chemistry reaction and preparation method and application thereof 北京声光纳医疗科技有限公司 2025-02-07 CN disclosed