SCHEMBL6462917

SCHEMBL6462917

Oc1ccc(-c2ccccc2C=Cc2nc(-c3ccc(Cl)cc3Cl)c[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALPL P05186 2/20 0.38
ALPG P10696 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
XDH P47989 1/20 0.34
MARS1 P56192 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
SCHEMBL1481883 0.84 SMN1; SMN2 (0.49) SMN1; SMN2MEN1MAPTKMT2ANPC1
SCHEMBL1481885 0.84 SMN1; SMN2 (0.49) SMN1; SMN2MEN1MAPTKMT2ANPC1
SCHEMBL1482814 0.83 MEN1 (0.46) SMN1; SMN2MEN1MAPTKMT2ANPC1
SCHEMBL1482813 0.83 MEN1 (0.46) SMN1; SMN2MEN1MAPTKMT2ANPC1
SCHEMBL1481927 0.82 MEN1 (0.45) SMN1; SMN2MEN1MAPTKMT2ANPC1
SCHEMBL1481925 0.82 MEN1 (0.45) SMN1; SMN2MEN1MAPTKMT2ANPC1
SCHEMBL1480314 0.81 RAB9A (0.41) SMN1; SMN2MEN1MAPTKMT2ANPC1
SCHEMBL1480315 0.81 RAB9A (0.41) SMN1; SMN2MEN1MAPTKMT2ANPC1
SCHEMBL1481356 0.81 NPC1 (0.35) SMN1; SMN2MEN1MAPTKMT2ANPC1
SCHEMBL1480766 0.78 PTGES (0.44) SMN1; SMN2MEN1MAPTKMT2ANPC1

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