SCHEMBL9557448

SCHEMBL9557448

CC(C)Cc1ccc(C(=O)N(C)N(C(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.40
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
FAAH O00519 1/20 0.36
SNCA P37840 1/20 0.36

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
SCHEMBL9557291 0.88 TP53 (0.38) CTSDTP53SMN1; SMN2GAANPC1
SCHEMBL9557493 0.85 CTSD (0.44) CTSDSMN1; SMN2GAANPC1RAB9A
SCHEMBL9557683 0.83 CTSD (0.49) CTSDTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL9714336 0.80 SMN1; SMN2 (0.48) CTSDSMN1; SMN2GAAALDH1A1HPGD
SCHEMBL9714340 0.80 ABCB1 (0.49) SMN1; SMN2HPGD
SCHEMBL9557474 0.73 CES2 (0.56) SMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL9557760 0.73 POLB (0.43) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL9558110 0.73 ALDH1A1 (0.44) CTSDTP53SMN1; SMN2GAAALDH1A1
SCHEMBL10779145 0.73 CTSD (0.39) CTSDNPC1RAB9AALDH1A1LMNA
SCHEMBL9557846 0.72 CTSD (0.46) CTSDTP53SMN1; SMN2GAAALDH1A1

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-5225443-A Lepidotera and Coleoptera insecticides to protect plants ROHM AND HAAS COMPANY (US) 1993-07-06 US disclosed
EP-0245950-A2 Insecticidal n-substituted-n' - substituted-n, n'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-11-19 EP disclosed