SCHEMBL7474498

SCHEMBL7474498

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

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
ABCB1 P08183 2/20 0.33
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
CYP3A4 P08684 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX12 P18054 1/20 0.30
CYP2C9 P11712 1/20 0.30
HTT P42858 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
SCHEMBL7481205 0.85 CTNNB1 (0.35) NPC1RAB9ACTNNB1WNT3A
SCHEMBL7479723 0.85 NPC1 (0.35) NPC1RAB9AALDH1A1MAPTABCB1
SCHEMBL9253142 0.81 NPC1 (0.34) NPC1RAB9AALDH1A1MAPTABCB1
SCHEMBL7130710 0.78 NPC1 (0.38) NPC1RAB9AALDH1A1MAPTABCB1
Chromafenozide SCHEMBL73335 0.77 ABCB1 (0.56) ABCB1CYP3A4CYP2C19CYP2C9HTT
SCHEMBL7121475 0.77 ABCB1 (0.48) ABCB1CYP3A4
SCHEMBL9357214 0.77 ABCB1 (0.46) ABCB1CYP3A4CYP2C19CYP2C9HTT
SCHEMBL8875639 0.73 CTNNB1 (0.35) NPC1RAB9AALDH1A1MAPTCTNNB1
SCHEMBL9356785 0.73 ABCB1 (0.40) ABCB1CYP3A4CYP2C19CYP2C9HTT
SCHEMBL9357063 0.72 ABCB1 (0.40) ABCB1CYP3A4CYP2C19CYP2C9HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496342-B2 New hydrazine derivative and pesticidal composition comprising said derivative as an effective ingredient NIPPON KAYAKU KK (JP) 2002-07-24 EP claimed
US-5378726-A Insecticide, parasiticide NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1995-01-03 US claimed
EP-0496342-B2 New hydrazine derivative and pesticidal composition comprising said derivative as an effective ingredient NIPPON KAYAKU KK (JP) 2002-07-24 EP disclosed
US-5378726-A Insecticide, parasiticide NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1995-01-03 US disclosed