SCHEMBL11840271

SCHEMBL11840271

CSc1ccc(-c2nccnn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 2/20 0.42
NISCH Q9Y2I1 1/20 0.40
ADORA3 P0DMS8 2/20 0.36
ALDH1A1 P00352 2/20 0.35
PTGS2 P35354 2/20 0.33
HAO1 Q9UJM8 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
ROCK1 Q13464 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
PLK1 P53350 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL19435586 0.83 CLK4 (0.38) NPC1RAB9ATP53SMN1; SMN2MAPK1
SCHEMBL2500804 0.79 KMT2A (0.47) LMNANPC1RAB9ATP53SMN1; SMN2
SCHEMBL28227388 0.79 CLK4 (0.52) LMNANPC1RAB9ATP53SMN1; SMN2
SCHEMBL20746793 0.78 TP53 (0.53) LMNANPC1RAB9ATP53SMN1; SMN2
SCHEMBL10731993 0.74 MAPT (0.46) NPC1RAB9ASMN1; SMN2TSHRMAPT
SCHEMBL4303322 0.74 MEN1 (0.56) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL17701519 0.73 KIF11 (0.48) LMNANPC1RAB9ATP53SMN1; SMN2
SCHEMBL27668598 0.73 CLK4 (0.66) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL30186716 0.73 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPK1ADORA3
SCHEMBL14656056 0.73 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPK1ADORA3

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-3948894-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1976-04-06 US disclosed