SCHEMBL5158430

SCHEMBL5158430

CC(=O)OCc1nc2cnc3ccccc3c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37

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
SCHEMBL14465824 0.80 RAB9A (0.42) RAB9AKDM4ESMN1; SMN2NPC1TNKS2
SCHEMBL29977924 0.80 RAB9A (0.42) RAB9AKDM4ESMN1; SMN2NPC1TNKS2
SCHEMBL2180069 0.79 RAB9A (0.63) RAB9AALDH1A1MAPK1MAPTKDM4E
SCHEMBL14644025 0.78 LMNA (0.42) RAB9AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL19503489 0.78 MAPT (0.48) ALDH1A1MAPTKDM4ERECQLSMN1; SMN2
SCHEMBL9380265 0.77 MEN1 (0.48) RAB9AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL29468686 0.77 MEN1 (0.48) RAB9AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL9673902 0.76 MAPT (0.63) RAB9ACYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL6724720 0.76 AAK1 (0.37) RAB9ACYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL9379043 0.75 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA

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-1765348-A2 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2007-03-28 EP disclosed
WO-2006028545-A2 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed