SCHEMBL6532595

SCHEMBL6532595

CCOc1ccc(-c2ccc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)cn3CC)cc2)cc1.Oc1ccc(-c2ccc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)c[nH]3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.34
APP P05067 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
ATM Q13315 1/20 0.33
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAOB P27338 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
KCNA3 P22001 1/20 0.32

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
SCHEMBL6532596 1.00 KMT2A (0.36) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL1480804 0.88 MAPT (0.41) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL1480802 0.88 MAPT (0.41) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL1480461 0.86 MAPT (0.41) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL1480463 0.86 MAPT (0.41) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL1480642 0.85 MEN1 (0.45) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL1480644 0.85 MEN1 (0.45) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL1480230 0.83 MAPT (0.43) MAPTSMN1; SMN2TP53APPTRPV1
SCHEMBL1480232 0.83 MAPT (0.43) MAPTSMN1; SMN2TP53APPTRPV1
SCHEMBL1482165 0.82 MAPT (0.42) KMT2AMEN1MAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO disclosed