SCHEMBL28875649

SCHEMBL28875649

C[S+]([O-])c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 3/20 0.62
▸ ERN1 O75460 1/20 0.50
▸ TDP1 Q9NUW8 4/20 0.47
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ TSHR P16473 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CXCR1 P25024 1/20 0.41
▸ CXCR2 P25025 1/20 0.41

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
SCHEMBL6870799 0.81 HSD17B10 (0.52) GPR35TDP1KMT2AMEN1CYP1A2
SCHEMBL20150198 0.81 HSD17B10 (0.52) GPR35TDP1KMT2AMEN1CYP1A2
SCHEMBL1077970 0.78 GPR35 (1.00) GPR35ERN1TDP1MAPTKMT2A
SCHEMBL11228314 0.76 GPR35 (0.95) GPR35ERN1TDP1MAPTKMT2A
SCHEMBL30135314 0.76 GPR35 (0.95) GPR35ERN1TDP1MAPTKMT2A
SCHEMBL11228321 0.76 GPR35 (0.95) GPR35ERN1TDP1MAPTKMT2A
SCHEMBL16919574 0.73 TDP1 (0.42) GPR35TDP1MAPTKMT2ACYP1A2
SCHEMBL104593 0.73 GPR35 (0.72) GPR35ERN1TDP1MAPTKMT2A
Methyl Alcohol SCHEMBL27357898 0.73 GPR35 (0.72) GPR35ERN1TDP1MAPTKMT2A
SCHEMBL2135932 0.73 GPR35 (0.64) GPR35ERN1TDP1MAPTKMT2A

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-110114358-A Novel compound and pharmacologically acceptable salt thereof 明治制果药业株式会社 2019-08-09 — — CN disclosed
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