SCHEMBL8620864

SCHEMBL8620864

Cc1ccc(-n2nc3cc([N+](=O)[O-])c(Cl)c(Cl)c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
KMT2A Q03164 7/20 0.44
LMNA P02545 4/20 0.44
PPARG P37231 1/20 0.44
NPC1 O15118 7/20 0.40
RAB9A P51151 6/20 0.40
MEN1 O00255 6/20 0.40
KDM4E B2RXH2 5/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 3/20 0.40
HPGD P15428 2/20 0.40
MCL1 Q07820 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL8626654 0.86 SMN1; SMN2 (0.42) MAPTSMN1; SMN2KMT2ALMNANPC1
SCHEMBL27647652 0.84 MAPT (0.44) MAPTSMN1; SMN2KMT2ALMNAPPARG
SCHEMBL28758636 0.82 PPARG (0.52) MAPTSMN1; SMN2KMT2ALMNAPPARG
SCHEMBL27627365 0.82 POLB (0.48) MAPTSMN1; SMN2KMT2ALMNAPPARG
SCHEMBL27627283 0.80 MAPT (0.49) MAPTSMN1; SMN2KMT2ALMNAPPARG
SCHEMBL27627280 0.79 NPC1 (0.56) MAPTSMN1; SMN2KMT2ALMNAPPARG
SCHEMBL28756330 0.79 PPARG (0.52) MAPTSMN1; SMN2KMT2ALMNAPPARG
SCHEMBL27627287 0.77 SMN1; SMN2 (0.52) MAPTSMN1; SMN2KMT2ALMNAPPARG
SCHEMBL27627292 0.75 SMN1; SMN2 (0.40) MAPTSMN1; SMN2KMT2ALMNANPC1
SCHEMBL3278808 0.73 PKM (0.36) MAPTSMN1; SMN2KMT2ALMNANPC1

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-0845026-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL, Hans-Peter Dr. (DE) 1998-06-03 EP disclosed
WO-1997048786-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL HANS PETER (DE) 1997-12-24 WO disclosed