SCHEMBL3422756

SCHEMBL3422756

[c]1cc2ccccc2nc1-c1ccnc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP3A4 P08684 1/20 0.43
GPR3 P46089 1/20 0.42
NCF1 P14598 1/20 0.41
MAPT P10636 2/20 0.40
ESR1 P03372 1/20 0.40
TP53 P04637 1/20 0.40
PTK2B Q14289 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM4 Q14833 4/20 0.40
TGFBR1 P36897 5/20 0.39
MAPK14 Q16539 3/20 0.39
IDO1 P14902 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
SCHEMBL5088933 0.76 MAPT (0.39) CYP1A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16720319 0.75 TGFBR1 (0.52) TGFBR1DYRK1ACSNK1A1
SCHEMBL27917128 0.74 CYP1A2 (0.60) CYP1A2NPC1RAB9AKDM4EALDH1A1
SCHEMBL29699887 0.74 CYP1A2 (0.60) CYP1A2NPC1RAB9AKDM4EALDH1A1
SCHEMBL1227713 0.74 CYP1A2 (0.60) CYP1A2NPC1RAB9AKDM4EALDH1A1
SCHEMBL6448031 0.74 ALDH1A1 (0.43) CYP1A2NPC1RAB9AKDM4EALDH1A1
SCHEMBL8096483 0.73 TGFBR1 (0.46) CYP1A2NPC1RAB9AKDM4EALDH1A1
SCHEMBL8096509 0.73 CYP1A2 (0.49) CYP1A2NPC1RAB9AKDM4EALDH1A1
SCHEMBL27997619 0.73 CYP1A2 (0.56) CYP1A2NPC1RAB9AKDM4EALDH1A1
SCHEMBL30487734 0.72 CYP1A2 (0.58) CYP1A2NPC1RAB9AKDM4EALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103762217-B A kind of manufacture method of ferroelectric memory JIANGSU JUBANG ENVIRONMENT ENGINEERING GROUP CO., LTD. (CN) 2016-05-04 CN claimed
JP-4554364-B2 2010-09-29 JP claimed
EP-1539739-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-15 EP claimed
WO-2004020435-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-11 WO claimed
EP-1483266-B1 SPIRO COMPOUNDS WITH NPY ANTAGONISTIC ACTIVITY BANYU PHARMA CO LTD (JP) 2008-02-27 EP disclosed