SCHEMBL13680581

SCHEMBL13680581

Cc1cccc(-c2ccc3nc(C)[nH]c3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
POLB P06746 4/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
DHODH Q02127 1/20 0.56
ABL1 P00519 1/20 0.54
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 4/20 0.54
MAPT P10636 4/20 0.54
GFER P55789 3/20 0.54
GAA P10253 2/20 0.54
GLA P06280 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
HPGD P15428 4/20 0.54
HCRTR1 O43613 1/20 0.54
NFKB1 P19838 1/20 0.54
STAT1 P42224 1/20 0.54
NFKB2 Q00653 1/20 0.54

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
SCHEMBL21905249 0.98 DHODH (0.58) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL35046 0.93 NPC1 (0.72) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL34865 0.88 NPC1 (0.69) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL12999376 0.88 NPC1 (0.69) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL2457137 0.88 RAB9A (0.67) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL6881507 0.86 RAB9A (0.67) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL30572573 0.86 RAB9A (0.67) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL30572488 0.84 RAB9A (0.59) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL15747134 0.84 RAB9A (0.59) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL9980119 0.84 RAB9A (0.59) RAB9ANPC1SMN1; SMN2POLBMEN1

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed