SCHEMBL11069372

SCHEMBL11069372

CCCn1nc(C)n(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
CYP2C19 P33261 3/20 0.48
POLB P06746 3/20 0.46
BRD9 Q9H8M2 3/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43

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 0.91 BRD9 (0.54) MAPTLMNAKDM4EGAACYP2C19
SCHEMBL11072138 0.85 L3MBTL1 (0.61) MAPTLMNAGAACYP2C19POLB
SCHEMBL11085992 0.84 SMN1; SMN2 (0.49) MAPTLMNAKDM4EGAACYP2C19
SCHEMBL9462045 0.84 MAPT (0.45) MAPTLMNAKDM4EGAACYP2C19
SCHEMBL9456969 0.78 POLB (0.52) MAPTLMNAKDM4EGAACYP2C19
SCHEMBL9381278 0.78 MAPT (0.62) MAPTLMNAKDM4EGAACYP2C19
SCHEMBL9457262 0.76 POLB (0.50) MAPTLMNAKDM4EGAAPOLB
Water SCHEMBL9457015 0.76 POLB (0.49) MAPTLMNAPOLBBRD9KMT2A
SCHEMBL11075143 0.75 L3MBTL1 (0.65) MAPTLMNAGAACYP2C19POLB
SCHEMBL9665027 0.75 MAPT (0.62) MAPTLMNAKDM4EGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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