SCHEMBL11085992

SCHEMBL11085992

Cc1nn(C)c(=O)n1-c1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
BRD9 Q9H8M2 2/20 0.49
PKM P14618 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 6/20 0.49
GAA P10253 5/20 0.49
KDM4E B2RXH2 4/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 4/20 0.45
HTT P42858 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL11070469 0.84 BRD9 (0.54) SMN1; SMN2BRD9L3MBTL1MAPTGAA
SCHEMBL11069372 0.84 MAPT (0.49) SMN1; SMN2BRD9L3MBTL1NPC1RAB9A
SCHEMBL11073330 0.82 GAA (0.43) SMN1; SMN2PKML3MBTL1NPC1MAPT
SCHEMBL11073079 0.82 BRD9 (0.56) SMN1; SMN2BRD9PKML3MBTL1NPC1
SCHEMBL9462045 0.80 MAPT (0.45) SMN1; SMN2BRD9L3MBTL1MAPTGAA
SCHEMBL9381278 0.79 MAPT (0.62) SMN1; SMN2BRD9PKML3MBTL1NPC1
SCHEMBL9457468 0.75 TDP1 (0.56) SMN1; SMN2PKML3MBTL1NPC1RAB9A
SCHEMBL9456969 0.74 POLB (0.52) SMN1; SMN2BRD9NPC1RAB9AMAPT
SCHEMBL11073033 0.74 BRD9 (0.55) SMN1; SMN2BRD9PKML3MBTL1NPC1
SCHEMBL9381712 0.73 MAPT (0.43) SMN1; SMN2PKMMAPTGAAKDM4E

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
EP-0006711-A1 Heterocyclic derivatives of (4-phenylpiperazin-1-yl-aryloxymethyl-1,3-dioxolan-2-yl)-methyl-1H-imidazoles and 1H-1,2,4-triazoles, processes for preparing them and compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-09 EP claimed
US-4490530-A ANTIFUNGAL, ANTIBACTERIAL JANSSEN PHARMACEUTICA N.V. (BE) 1984-12-25 US disclosed
EP-0006711-B1 HETEROCYCLIC DERIVATIVES OF (4-PHENYLPIPERAZIN-1-YL-ARYLOXYMETHYL-1,3-DIOXOLAN-2-YL)-METHYL-1H-IMIDAZOLES AND 1H-1,2,4-TRIAZOLES, PROCESSES FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-10-26 EP disclosed
US-4368200-A BACTERICIDES, FUNGICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-11 US disclosed
US-4267179-A AS FUNGICIDES AND BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1981-05-12 US disclosed