SCHEMBL5070972

SCHEMBL5070972

N#Cc1cc(C(=O)c2ccc(N)c(C#N)c2)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 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
SCHEMBL4609393 0.91 PBRM1 (0.51) MAPK1MAPTALDH1A1GAAL3MBTL1
SCHEMBL6816025 0.86 PARP15 (0.43) MAPK1ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL4026182 0.86 CDC25B (0.50) MAPTALDH1A1GAALMNAHTT
SCHEMBL32668290 0.85 ALDH1A1 (0.46) MAPK1MAPTALDH1A1GAALMNA
SCHEMBL23302174 0.85 TSHR (0.38) MAPK1MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL30468764 0.85 PRKCI (0.47) MAPK1MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL3734286 0.85 PRKCI (0.47) MAPK1MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL5070811 0.84 MAPT (0.47) MAPK1MAPTALDH1A1GAALMNA
SCHEMBL9446785 0.82 MAPK1 (0.38) MAPK1MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL9853906 0.82 MAPK1 (0.39) MAPK1MAPTALDH1A1CYP1A2CYP3A4

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-20080185700-A1 Adhesive Film and Method for Manufacturing Semiconductor Device Using Same MITSUI CHEMICALS, INC. (JP) 2008-08-07 US disclosed