SCHEMBL7653002

SCHEMBL7653002

COc1cc(C(C)C)c(C(F)(F)F)cc1C(=O)Nc1cccc2c1C(C)(C)CN(C)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.41
KMT2A Q03164 4/20 0.37
MAPK1 P28482 3/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RXFP1 Q9HBX9 5/20 0.37
KCNK3 O14649 2/20 0.37
KCNK9 Q9NPC2 2/20 0.37
MAPT P10636 3/20 0.35
PDE4B Q07343 1/20 0.35
CYP3A4 P08684 1/20 0.35
LPAR1 Q92633 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
CASP3 P42574 1/20 0.35
ATM Q13315 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
SCHEMBL7661528 0.89 KCNK3 (0.41) KMT2AMAPK1MEN1SMN1; SMN2USP2
SCHEMBL7658662 0.86 MAPK1 (0.39) KMT2AMAPK1MEN1SMN1; SMN2USP2
SCHEMBL8185021 0.84 MAP3K5 (0.41) S1PR1KMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL7651392 0.84 KCNK3 (0.43) KMT2AMAPK1MEN1L3MBTL1RXFP1
SCHEMBL7658672 0.79 KMT2A (0.42) KMT2AMAPK1MEN1SMN1; SMN2USP2
SCHEMBL7649740 0.78 MAPT (0.39) KMT2AMAPK1MEN1SMN1; SMN2USP2
SCHEMBL7799949 0.78 MAP3K5 (0.40) KMT2AMAPK1MEN1SMN1; SMN2USP2
SCHEMBL7792108 0.77 RXFP1 (0.41) L3MBTL1RXFP1KCNK3KCNK9MAPT
SCHEMBL7653797 0.76 HSD17B10 (0.41) KMT2AMAPK1MEN1SMN1; SMN2L3MBTL1
SCHEMBL7791943 0.76 MEN1 (0.42) KMT2AMEN1RXFP1KCNK3KCNK9

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-6492378-B1 Substituted isoquinoline derivatives and their use as anticonvulsivants SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-10 US disclosed