SCHEMBL15435345

SCHEMBL15435345

COc1ccc(CNc2ccc(OCCCc3ccccc3)cc2F)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4C Q9H3R0 1/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
TSHR P16473 3/20 0.44
CYP2C19 P33261 3/20 0.44
USP2 O75604 2/20 0.44
APLNR P35414 1/20 0.44
MTNR1B P49286 1/20 0.44
MAOB P27338 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL16715459 0.97 MAPT (0.48) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL15435177 0.85 LMNA (0.44) LMNAGAAL3MBTL1MEN1KMT2A
SCHEMBL15435254 0.84 APLNR (0.47) MAPTALDH1A1LMNAGAAL3MBTL1
SCHEMBL16715458 0.77 NPC1 (0.47) LMNAGAAMEN1KMT2AKDM4C
SCHEMBL15435347 0.76 APLNR (0.51) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL15435400 0.76 GAA (0.54) MAPTALDH1A1LMNAGAAL3MBTL1
SCHEMBL10391664 0.72 HPGD (0.51) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL257778 0.71 MRGPRX4 (0.53) MEN1KMT2AMAOB
SCHEMBL10787691 0.71 RAB9A (0.55) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL11983159 0.71 APLNR (0.65) MAPTALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
EP-2687507-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2014-01-22 EP disclosed