SCHEMBL13680704

SCHEMBL13680704

Cc1ccc(-c2cnc(-c3ccccc3)nc2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
NFKB1 P19838 2/20 0.53
RAB9A P51151 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
HPGDS O60760 11/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL2199459 0.80 PTGS1 (0.55) SMN1; SMN2NPC1RAB9APTGS1PTGS2
SCHEMBL13680715 0.79 TDP1 (0.42) SMN1; SMN2NPC1RAB9APTGS1PTGS2
SCHEMBL8532336 0.77 HPGD (0.52) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL13680718 0.76 ALDH1A1 (0.39) SMN1; SMN2NPC1RAB9APTGS1PTGS2
SCHEMBL13680711 0.76 ALDH1A1 (0.39) SMN1; SMN2NPC1RAB9APTGS1PTGS2
SCHEMBL18551805 0.75 CYP1A2 (0.51) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL13680700 0.73 MAP4K4 (0.41) SMN1; SMN2NPC1RAB9APTGS1PTGS2
SCHEMBL13680709 0.73 GRM5 (0.37) SMN1; SMN2NPC1RAB9APTGS1PTGS2
SCHEMBL2317623 0.73 ALOX15 (0.72) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL13680518 0.73 MAPT (0.41) SMN1; SMN2NPC1RAB9APTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed