SCHEMBL7511214

SCHEMBL7511214

COc1ccc(-c2nc(-c3c[nH]c(C)n3)oc2CCCCOc2ccccc2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.36
CEPT1 Q9Y6K0 1/20 0.35
SYK P43405 2/20 0.35
HAVCR2 Q8TDQ0 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
PDGFRB P09619 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SENP2 Q9HC62 1/20 0.34

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
SCHEMBL7503844 0.90 MAPT (0.39) ALDH1A1LMNAMAPTSMN1; SMN2TSHR
SCHEMBL124198 0.87 TP53 (0.40) ALDH1A1LMNAMAPTSMN1; SMN2TSHR
SCHEMBL7507796 0.86 MAPT (0.39) ALDH1A1MAPTSMN1; SMN2TSHRHSD17B10
SCHEMBL7508048 0.84 PTGS2 (0.40) ALDH1A1KDM4EMAPTHSD17B10TP53
SCHEMBL7507094 0.84 CETP (0.38) ALDH1A1LMNAMAPTSMN1; SMN2TSHR
SCHEMBL4442879 0.83 HSD17B10 (0.38) ALDH1A1MAPTSMN1; SMN2TSHRHSD17B10
SCHEMBL4442467 0.83 MAPT (0.38) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL7514960 0.82 MAPT (0.35) ALDH1A1LMNAMAPTSMN1; SMN2TSHR
SCHEMBL7507704 0.80 CYP1A2 (0.38) ALDH1A1LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL7509955 0.79 PDGFRB (0.39) MAPTPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206472-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT Takeda Chemical Industries, Ltd. (JP) 2002-05-22 EP disclosed
WO-2001014372-A2 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-01 WO disclosed