SCHEMBL9674698

SCHEMBL9674698

N#CC1(c2ccc(CON)cc2)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AGXT P21549 8/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
OPRM1 P35372 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL27729280 0.79 LOXL2 (0.42) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL3954776 0.77 ALDH1A1 (0.40) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL25735696 0.76 OPRM1 (0.42) ALDH1A1CYP3A4KDM4ELMNAMAPT
SCHEMBL6180992 0.76 ALDH1A1 (0.42) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL6211633 0.75 MAOB (0.55) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL3952865 0.75 OPRM1 (0.41) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL10390699 0.74 ESR1 (0.54) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL2815104 0.74 ALDH1A1 (0.52) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL6208936 0.74 MAOB (0.54) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL10227286 0.74 CYP2A6 (0.44) ALDH1A1MEN1NPC1RAB9AKMT2A

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
EP-0234045-B1 A PYRAZOLE OXIME DERIVATIVE AND ITS PRODUCTION AND USE NIHON NOHYAKU CO., LTD. (JP) 1992-09-02 EP disclosed
US-4843068-A INSECTICIDES, MITICIDES, FUNGICIDES NIHON NOHYAKU CO., LTD. (JP) 1989-06-27 US disclosed