SCHEMBL6527253

SCHEMBL6527253

COc1ccc(-c2ccc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)c[nH]3)cc2)cc1OC.Clc1ccc(-c2c[nH]c(/C=C/c3ccc(Br)cc3)n2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.38
THRB P10828 1/20 0.37
MAPT P10636 4/20 0.37
APP P05067 2/20 0.37
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.37
GSK3B P49841 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BACE1 P56817 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36

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
SCHEMBL6531518 1.00 KIT (0.38) KITTHRBMAPTAPPACHE
SCHEMBL1483102 0.95 KIT (0.41) KITTHRBMAPTACHEKDM4E
SCHEMBL1483101 0.95 KIT (0.41) KITTHRBMAPTACHEKDM4E
SCHEMBL1480968 0.87 ACHE (0.45) MAPTAPPACHEKDM4EHPGD
SCHEMBL1480971 0.87 ACHE (0.45) MAPTAPPACHEKDM4EHPGD
SCHEMBL1481657 0.86 AGPAT2 (0.39) THRBMAPTACHEKDM4EHPGD
SCHEMBL1481654 0.86 AGPAT2 (0.39) THRBMAPTACHEKDM4EHPGD
SCHEMBL1480157 0.86 DHODH (0.39) MAPTKDM4EHPGDSMN1; SMN2RAB9A
SCHEMBL1480155 0.86 DHODH (0.39) MAPTKDM4EHPGDSMN1; SMN2RAB9A
SCHEMBL1481066 0.84 MAPT (0.44) MAPTKDM4EHPGDSMN1; SMN2RAB9A

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
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 WO disclosed