SCHEMBL9497589

SCHEMBL9497589

CC(C)(C)N(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.65
MAPT P10636 4/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MCL1 Q07820 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
FLT1 P17948 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50

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
SCHEMBL9714327 0.90 ABCB1 (0.75) ABCB1MAPTNPC1RAB9AALDH1A1
SCHEMBL9714320 0.90 ABCB1 (0.66) ABCB1MAPTNPC1RAB9AMCL1
SCHEMBL10722563 0.81 ABCB1 (0.71) ABCB1
SCHEMBL10752824 0.80 ABCB1 (0.68) ABCB1
SCHEMBL10720238 0.78 ABCB1 (0.56) ABCB1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL10721565 0.77 ABCB1 (0.58) ABCB1MAPTALDH1A1
SCHEMBL7566341 0.77 MAPT (0.66) MAPTNPC1RAB9AMCL1SMN1; SMN2
SCHEMBL3190849 0.77 L3MBTL1 (0.65) MAPTNPC1RAB9AMCL1SMN1; SMN2
SCHEMBL10722090 0.77 ABCB1 (0.64) ABCB1
SCHEMBL9714285 0.76 ABCB1 (0.58) ABCB1MAPTKMT2APOLB

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
US-5237099-A Insecticidal substituted and unsubstituted benzoic acid 1-alkyl, 2-alkyl and 2-cycloalkylhydrazides AMERICAN CYANAMID COMPANY (US) 1993-08-17 US disclosed
EP-0228564-A2 Novel insecticidal diacylhydrazine compounds AMERICAN CYANAMID COMPANY (US) 1987-07-15 EP disclosed