SCHEMBL9714320

SCHEMBL9714320

CC(C)(C)N(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.66
MAPT P10636 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
ALDH1A1 P00352 2/20 0.58
POLB P06746 1/20 0.55
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
MCL1 Q07820 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TP53 P04637 1/20 0.49

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 0.91 ABCB1 (0.75) ABCB1MAPTNPC1RAB9AALDH1A1
SCHEMBL9497589 0.90 ABCB1 (0.65) ABCB1MAPTNPC1RAB9AALDH1A1
SCHEMBL9714285 0.88 ABCB1 (0.58) ABCB1MAPTPOLBCYP3A4CYP2C9
SCHEMBL10752824 0.86 ABCB1 (0.68) ABCB1
SCHEMBL9714124 0.83 ABCB1 (0.64) ABCB1MAPTPOLBCYP3A4CYP2C9
SCHEMBL9714597 0.82 ABCB1 (0.76) ABCB1ALDH1A1POLBCYP3A4CYP2C9
SCHEMBL10722858 0.82 POLB (0.55) ABCB1NPC1RAB9APOLBCYP3A4
SCHEMBL8166763 0.82 POLB (0.74) ABCB1NPC1RAB9APOLBCYP3A4
SCHEMBL9652010 0.82 POLB (0.74) ABCB1NPC1RAB9APOLBCYP3A4
SCHEMBL9824866 0.81 POLB (0.60) ABCB1MAPTPOLBCYP3A4CYP2C9

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-0245950-B1 INSECTICIDAL N-SUBSTITUTED-N' - SUBSTITUTED-N, N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1992-06-17 EP disclosed
EP-0236618-B1 INSECTICIDAL N'-SUBSTITUTED-N,N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-02-27 EP disclosed