SCHEMBL9738636

SCHEMBL9738636

CS(=O)(=O)Oc1ccc(C(=O)Cl)c([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.39
FLT4 P35916 2/20 0.39
KDR P35968 2/20 0.39
ALDH1A1 P00352 6/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
VCAM1 P19320 1/20 0.38
MAPK1 P28482 4/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
RAF1 P04049 1/20 0.37
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.37
PAX8 Q06710 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL9740555 0.87 AKR1C3 (0.45) ALDH1A1RAB9ANPC1CYP3A4VCAM1
SCHEMBL1567614 0.82 NPC1 (0.53) ALDH1A1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL2084156 0.79 ALDH1A1 (0.51) FLT1FLT4KDRALDH1A1RAB9A
SCHEMBL30595897 0.79 ALDH1A1 (0.51) FLT1FLT4KDRALDH1A1RAB9A
SCHEMBL26343209 0.78 DTYMK (0.51) ALDH1A1CYP3A4VCAM1MAPTKDM4E
Hydrochloric Acid SCHEMBL28740577 0.78 ALDH1A1 (0.50) FLT1FLT4KDRALDH1A1RAB9A
SCHEMBL1860425 0.77 HPD (0.58) MEN1KMT2APKM
SCHEMBL30177033 0.77 HPD (0.58) MEN1KMT2APKM
SCHEMBL998546 0.77 HPD (0.39) ALDH1A1RAB9AVCAM1MAPK1MAPT
SCHEMBL9325335 0.77 ALDH1A1 (0.47) FLT1FLT4KDRALDH1A1RAB9A

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
US-5089046-A Herbicides or miticide SANDOZ LTD. (CH) 1992-02-18 US disclosed