SCHEMBL5583750

SCHEMBL5583750

COc1ccnc(C(=O)Nc2ccc(OCCCOc3ccccc3)cc2)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
TP53 P04637 3/20 0.48
MAPK1 P28482 1/20 0.48
PKM P14618 2/20 0.47
KDR P35968 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46

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
SCHEMBL5583857 0.97 RAB9A (0.51) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5583751 0.91 S1PR4 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL2237038 0.90 RAB9A (0.53) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5583782 0.88 RAB9A (0.57) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5583719 0.87 NPC1 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5583812 0.86 NPC1 (0.64) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5583568 0.84 MEN1 (0.54) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5584055 0.84 ABCC1 (0.53) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL14284589 0.84 RAB9A (0.62) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL5583817 0.84 MAPT (0.56) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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