SCHEMBL9530335

SCHEMBL9530335

CC(C)Nc1cc(-c2nn(C)c(S(C)(=O)=O)c2Cl)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GLP1R P43220 3/20 0.34
HCAR3 P49019 1/20 0.34
ALDH1A1 P00352 4/20 0.34
ALDH3A1 P30838 2/20 0.32
POLB P06746 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KAT2B Q92831 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
DOT1L Q8TEK3 1/20 0.31
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
LMNA P02545 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
SCHEMBL9530884 0.85 KAT2B (0.35) GLP1RKAT2B
SCHEMBL9532418 0.85 MEN1 (0.34) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL9531607 0.82 VCAM1 (0.34) MAPTGLP1RALDH1A1POLBSMN1; SMN2
SCHEMBL9531453 0.81 PTGS2 (0.33) MAPTCYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL9537862 0.75 APEX1 (0.38) CYP2C19ALDH1A1MEN1KMT2AGAA
SCHEMBL9532464 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL9696175 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL9533313 0.74 PPOX (0.37) MAPTKMT2A
SCHEMBL27524947 0.74 MITF (0.32) MAPTPOLBSMN1; SMN2
SCHEMBL7509183 0.72 VCAM1 (0.33) MAPTGLP1RALDH1A1POLBSMN1; SMN2

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
EP-0542872-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1993-05-26 EP disclosed
WO-1992002509-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1992-02-20 WO disclosed