SCHEMBL9253142

SCHEMBL9253142

Cc1cc(C)cc(C(=O)N(N(SC(Cl)(Cl)Cl)C(=O)c2ccc3c(c2C)CCCO3)C(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
ABCB1 P08183 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 2/20 0.31
CYP2C9 P11712 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL7473757 0.86 NPC1 (0.36) NPC1RAB9AALDH1A1MAPTABCB1
SCHEMBL7474498 0.81 NPC1 (0.33) NPC1RAB9AALDH1A1MAPTABCB1
SCHEMBL7130710 0.77 NPC1 (0.38) NPC1RAB9AALDH1A1MAPTABCB1
Chromafenozide SCHEMBL73335 0.76 ABCB1 (0.56) ABCB1CYP3A4CYP2C19HTTCYP2C9
SCHEMBL7121475 0.76 ABCB1 (0.48) ABCB1CYP3A4
SCHEMBL8875639 0.72 CTNNB1 (0.35) NPC1RAB9AALDH1A1MAPTCTNNB1
SCHEMBL7475290 0.71 NPC1 (0.33) NPC1RAB9AALDH1A1MAPTCTNNB1
SCHEMBL682224 0.70 RAB9A (0.46) NPC1RAB9AALDH1A1MAPTCTNNB1
SCHEMBL9029367 0.69 ABCB1 (0.41) ABCB1CYP3A4
SCHEMBL7478893 0.67 CTNNB1 (0.40) NPC1RAB9AALDH1A1MAPTCTNNB1

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-5378726-A Insecticide, parasiticide NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1995-01-03 US claimed
US-5378726-A Insecticide, parasiticide NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1995-01-03 US disclosed