SCHEMBL20008150

SCHEMBL20008150

CN/C=C(\C=C(/C)N1CCOCC1)c1cc(C)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
AKR1C3 P42330 1/20 0.36
THRB P10828 1/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 3/20 0.36
CYP2C19 P33261 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.35
AGTR1 P30556 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL20008363 0.77 MAPT (0.37) RAB9ASMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL20009063 0.76 NPC1 (0.39) RAB9ASMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL12813152 0.70 KMT2A (0.58) RAB9ASMN1; SMN2ALDH1A1L3MBTL1GAA
SCHEMBL20008169 0.69 PABPC1 (0.34)
SCHEMBL19529299 0.68 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL20008379 0.68
SCHEMBL20008272 0.67 TP53 (0.40) RAB9ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL20008164 0.66 MAPT (0.32) RAB9ASMN1; SMN2MAPTL3MBTL1NPC1
SCHEMBL13069540 0.64 ALDH1A1 (0.51) RAB9ASMN1; SMN2ALDH1A1L3MBTL1AKR1C3
SCHEMBL20008429 0.63 TP53 (0.40) RAB9ASMN1; SMN2ALDH1A1MAPTCYP2D6

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
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed