SCHEMBL8414693

SCHEMBL8414693

C=C(c1ccc2ccccc2n1)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.50
▸ NPC1 O15118 6/20 0.50
▸ MGAM O43451 1/20 0.47
▸ CNR2 P34972 5/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ NFKB1 P19838 3/20 0.44
▸ NFKB2 Q00653 3/20 0.44
▸ RELA Q04206 3/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL28443611 0.82 MGAM (0.61) RAB9ANPC1MGAMCNR2SMN1; SMN2
SCHEMBL8617775 0.81 MGAM (0.49) RAB9ANPC1MGAMCNR2SMN1; SMN2
SCHEMBL28549098 0.77 RAB9A (0.45) RAB9ANPC1MGAMCNR2SMN1; SMN2
SCHEMBL28549101 0.77 RAB9A (0.45) RAB9ANPC1MGAMCNR2SMN1; SMN2
SCHEMBL28605670 0.75 CNR2 (0.62) RAB9ANPC1MGAMCNR2SMN1; SMN2
SCHEMBL9493916 0.73 CES2 (0.56) ALDH1A1KMT2ACYP1A2HPGDLMNA
SCHEMBL12256867 0.72 MGAM (0.64) RAB9ANPC1MGAMCNR2SMN1; SMN2
SCHEMBL22501398 0.71 KDM4E (0.66) RAB9ANPC1MGAMCNR2SMN1; SMN2
SCHEMBL22501419 0.71 RAB9A (0.50) RAB9ANPC1MGAMCNR2SMN1; SMN2
SCHEMBL7978993 0.71 HDAC8 (0.42) RAB9ANPC1MGAMCNR2SMN1; SMN2

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-0937044-A1 CFTR CHANNEL ACTIVATOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1999-08-25 — — EP disclosed
WO-1998005642-A1 CFTR CHANNEL ACTIVATOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-02-12 — — WO disclosed
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