SCHEMBL11577346

SCHEMBL11577346

Nc1ccc2c(c1)CC(=O)c1cc(F)ccc1O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BLM P54132 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.37
NOTUM Q6P988 1/20 0.36
FABP6 P51161 1/20 0.36
MAPK14 Q16539 4/20 0.36
STK17B O94768 1/20 0.33
CYP19A1 P11511 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL11577383 0.82 HRH4 (0.46) LMNAGAANOTUMFABP6CYP19A1
SCHEMBL11577980 0.82 MAOB (0.40) MEN1KMT2AGAANOTUMFABP6
SCHEMBL5642473 0.82 MAOB (0.48) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11579332 0.82 NPC1 (0.54) LMNANPC1RAB9ASMN1; SMN2BLM
SCHEMBL11575864 0.79 MAOB (0.42) MEN1KMT2AGAASTK17BCYP19A1
SCHEMBL11577362 0.78 MEN1 (0.45) LMNANPC1RAB9AMAPTMEN1
SCHEMBL7112746 0.77 NOTUM (0.36) NPC1RAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL1987511 0.76 FABP6 (0.42) NPC1RAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL10646312 0.75 HRH4 (0.45) LMNANOTUMFABP6HRH4L3MBTL1
SCHEMBL28164465 0.75 RAB9A (0.58) LMNANPC1RAB9ASMN1; SMN2MAPKAPK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4118572-A CNS DEPRESSANTS, NEUROLEPTIC AGENTS, SCHIZOPHRENIA, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1978-10-03 US disclosed
US-4105664-A Dibenz[b,f]oxepin derivatives HOFFMANN-LA ROCHE INC. (US) 1978-08-08 US disclosed
US-4100173-A DEPRESSANTS, SCHIZOPHRENIA, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1978-07-11 US disclosed
US-4091023-A ANTISCHIZOPHRENIA AGENTS, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1978-05-23 US disclosed
US-4032525-A CNS DEPRESSANTS, NEUROLEPTICS HOFFMANN-LA ROCHE INC. (US) 1977-06-28 US disclosed