SCHEMBL807459

SCHEMBL807459

Nc1ccc2c(c1)Cc1cc(N)ccc1Cc1ccccc1C2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.72
LMNA P02545 4/20 0.72
RAB9A P51151 3/20 0.72
ALDH1A1 P00352 3/20 0.72
KDM4E B2RXH2 2/20 0.72
NPC1 O15118 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
HPGD P15428 1/20 0.72
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 2/20 0.48
TLR9 Q9NR96 1/20 0.44
CYP3A4 P08684 3/20 0.42
HSD17B10 Q99714 2/20 0.42
PARP1 P09874 1/20 0.42
HSD17B3 P37058 1/20 0.41
CASP1 P29466 2/20 0.41
ALOX15 P16050 1/20 0.41
CASP7 P55210 1/20 0.41
HBB P68871 1/20 0.41

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
SCHEMBL3779423 0.92 MAPT (0.60) MAPTLMNARAB9AALDH1A1KDM4E
SCHEMBL11950500 0.92 MAPT (0.60) MAPTLMNARAB9AALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL28721468 0.90
SCHEMBL23989284 0.84 RAB9A (1.00) MAPTLMNARAB9AALDH1A1KDM4E
SCHEMBL29556700 0.84 RAB9A (1.00) MAPTLMNARAB9AALDH1A1KDM4E
SCHEMBL225901 0.84 RAB9A (1.00) MAPTLMNARAB9AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2867998 0.82 RAB9A (0.96) MAPTLMNARAB9AALDH1A1KDM4E
SCHEMBL28378404 0.82 RAB9A (0.96) MAPTLMNARAB9AALDH1A1KDM4E
SCHEMBL15308827 0.79 ALDH1A1 (0.48) MAPTLMNARAB9AALDH1A1KDM4E
SCHEMBL2362632 0.79 RAB9A (0.84) MAPTLMNARAB9AALDH1A1KDM4E

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
WO-2012035327-A1 POLYMERISATION METHOD UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2012-03-22 WO disclosed