SCHEMBL9425890

SCHEMBL9425890

CC(C)(C)N(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.64
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
CDK5 Q00535 1/20 0.46
PAX8 Q06710 1/20 0.46
CDK5R1 Q15078 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL9815808 0.91 TLR7 (0.64) TLR7POLBMEN1KMT2ATRPV1
SCHEMBL9511093 0.85 AGTR1 (0.55) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL8173237 0.84 POLB (0.68) POLBKMT2ACYP3A4CYP2C9
SCHEMBL9815800 0.83 POLB (0.56) POLBMEN1KMT2ACYP3A4CYP2C9
SCHEMBL10719027 0.83 POLB (0.72) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL10718612 0.83 POLB (0.72) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL9425189 0.83 HPGD (0.68) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL9815864 0.78 ABCB1 (0.60) POLBCYP3A4CYP2C9
SCHEMBL10718386 0.78 HPGD (0.56) POLBTRPV1HPGDSMN1; SMN2CYP3A4
SCHEMBL9509589 0.77 MEN1 (0.57) POLBMEN1KMT2ANPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354762-A Insecticides ROHM AND HAAS COMPANY (US) 1994-10-11 US disclosed
EP-0253468-B1 SIX-MEMBERED HETEROCYCLIC DERIVATIVES OF N'SUBSTITUTED-N,N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-11-06 EP disclosed
EP-0253468-A2 Six-membered heterocyclic derivatives of N'substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1988-01-20 EP disclosed