SCHEMBL9733127

SCHEMBL9733127

CC1(C)CCC(Cl)=C(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH3A1 P30838 3/20 0.36
FLT1 P17948 2/20 0.36
FLT4 P35916 2/20 0.36
KDR P35968 2/20 0.36
LMNA P02545 4/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
CCR6 P51684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXRA P19793 1/20 0.33
VCAM1 P19320 2/20 0.33

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
SCHEMBL7993331 0.81 PTGS1 (0.44) ALDH1A1MAPTMEN1RAB9AKMT2A
SCHEMBL9733542 0.78 ALDH1A1 (0.39) ALDH1A1MAPTMEN1RAB9AKMT2A
SCHEMBL6859633 0.74 ALDH3A1 (0.43) ALDH1A1MAPTMEN1KMT2AALDH3A1
SCHEMBL909773 0.74 HPD (0.45) ALDH1A1MAPTMEN1RAB9AKMT2A
SCHEMBL7996379 0.73 ALDH3A1 (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7993239 0.72 ALDH1A1 (0.38) ALDH1A1MAPTMEN1RAB9AKMT2A
SCHEMBL7995073 0.71 ALDH3A1 (0.43) ALDH1A1MAPTMEN1KMT2AALDH3A1
SCHEMBL30595897 0.71 ALDH1A1 (0.51) ALDH1A1MAPTMEN1RAB9AKMT2A
SCHEMBL2084156 0.71 ALDH1A1 (0.51) ALDH1A1MAPTMEN1RAB9AKMT2A
SCHEMBL28465253 0.70 ALDH3A1 (0.46) ALDH1A1MAPTMEN1RAB9AKMT2A

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-5152826-A Herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-06 US disclosed