SCHEMBL5583668

SCHEMBL5583668

Nc1ccc(OCCCOc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.68
NPC1 O15118 1/20 0.68
KCNA3 P22001 1/20 0.65
MAOA P21397 2/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
MAOB P27338 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
TAAR1 Q96RJ0 1/20 0.58
LTA4H P09960 3/20 0.55
PLA2G2A P14555 1/20 0.55
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 1/20 0.52
RECQL P46063 1/20 0.52
TSHR P16473 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52

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
SCHEMBL3798212 0.93 KCNA3 (0.70) RAB9ANPC1KCNA3MAOAGAA
SCHEMBL5583741 0.93 RAB9A (0.70) RAB9ANPC1KCNA3MAOAGAA
SCHEMBL561615 0.91 TDP1 (0.61) RAB9ANPC1MAOAGAAMAPT
SCHEMBL21098621 0.87 RAB9A (0.63) RAB9ANPC1KCNA3MAOAGAA
SCHEMBL563017 0.85 TDP1 (0.61) RAB9ANPC1KCNA3MAOAGAA
SCHEMBL1025 0.85 KCNA3 (0.88) KCNA3TAAR1LTA4HPLA2G2AALDH1A1
SCHEMBL4025998 0.84 ALDH1A1 (0.67) RAB9ANPC1MAOAGAAMAPT
SCHEMBL18084272 0.84 RAB9A (0.63) RAB9ANPC1KCNA3MAOAGAA
SCHEMBL14593733 0.84 TDP1 (0.55) RAB9ANPC1MAOAGAAMAPT
SCHEMBL5583836 0.84 RAB9A (0.82) RAB9ANPC1MAOAGAAMAPT

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-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed