SCHEMBL9902027

SCHEMBL9902027

CCc1ccc(C(=O)NN(Cc2cccc(C)c2)C(C)(C)C)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.39
KAT6A Q92794 1/20 0.38
CSF1R P07333 1/20 0.38
ABCB1 P08183 2/20 0.38
CYP3A4 P08684 1/20 0.38
RAB9A P51151 1/20 0.37
RIPK1 Q13546 2/20 0.36
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
POLB P06746 2/20 0.35
TACR1 P25103 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL17416639 0.85 CYP1A2 (0.42) ABCB1RAB9AALDH1A1HPGD
SCHEMBL5058555 0.80 ABCB1 (0.58) ABCB1CYP3A4HPGD
SCHEMBL668612 0.73 ABCB1 (0.71) ABCB1CYP3A4HPGD
SCHEMBL4439209 0.70 ABCB1 (0.63) ABCB1CYP3A4HPGD
SCHEMBL5064387 0.70 HPGD (0.63) ABCB1CYP3A4POLBHPGD
SCHEMBL5056941 0.70 HPGD (0.56) ABCB1CYP3A4POLBHPGD
SCHEMBL5209743 0.69 ABCB1 (0.57) ABCB1CYP3A4RAB9APOLBHPGD
SCHEMBL10139352 0.68 HPGD (0.54) ABCB1CYP3A4HPGD
SCHEMBL5058463 0.68 ABCB1 (0.49) ABCB1HPGD
SCHEMBL5057388 0.68 ABCB1 (0.56) ABCB1CYP3A4ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463269-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-13 EP disclosed