SCHEMBL7473757

SCHEMBL7473757

Cc1cc(C)cc(C(=O)N(N(SC(Cl)(Cl)Cl)C(=O)c2ccc3c(c2C)OCCO3)C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.32
ABCB1 P08183 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9253142 0.86 NPC1 (0.34) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL7480242 0.80 NPC1 (0.35) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL7479723 0.80 NPC1 (0.35) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL5705240 0.75 NPC1 (0.39) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL7476971 0.74 ABCB1 (0.50) CYP3A4ABCB1
SCHEMBL668764 0.74 ABCB1 (0.57) HTTCYP3A4CYP2C9CYP2C19ABCB1
SCHEMBL7472544 0.70 ABCB1 (0.39) NPC1RAB9AMAPTALDH1A1CYP3A4
SCHEMBL9903289 0.70 NPC1 (0.35) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL7479127 0.69 ABCB1 (0.39) NPC1RAB9AMAPTALDH1A1ABCB1
SCHEMBL19946456 0.69 HSD17B10 (0.36) NPC1RAB9AMAPTALDH1A1HTT

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
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
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