SCHEMBL7479723

SCHEMBL7479723

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 2/20 0.32
ABCB1 P08183 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7474498 0.85 NPC1 (0.33) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL7480242 0.84 NPC1 (0.35) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL7473757 0.80 NPC1 (0.36) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL9357214 0.77 ABCB1 (0.46) HTTABCB1
SCHEMBL5705240 0.77 NPC1 (0.39) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL7476971 0.76 ABCB1 (0.50) ABCB1
SCHEMBL668764 0.76 ABCB1 (0.57) HTTABCB1
SCHEMBL9356785 0.75 ABCB1 (0.40) HTTABCB1
SCHEMBL9357063 0.74 ABCB1 (0.40) HTTABCB1
SCHEMBL9356838 0.74 ABCB1 (0.59) NPC1RAB9AABCB1

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
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-5530021-A AGRICULTURAL INSECTICIDES NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1996-06-25 US disclosed
US-5378726-A Insecticide, parasiticide NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1995-01-03 US disclosed