SCHEMBL13680559

SCHEMBL13680559

Cc1cccc(-c2ccc3nc(C)[nH]c3c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
POLB P06746 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
MAPT P10636 4/20 0.51
GFER P55789 2/20 0.51
GAA P10253 2/20 0.51
GLA P06280 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
HPGD P15428 3/20 0.51
HCRTR1 O43613 1/20 0.51
NFKB1 P19838 1/20 0.51
STAT1 P42224 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
PRKCI P41743 1/20 0.48

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
SCHEMBL12349989 0.88 NPC1 (0.62) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL35040 0.84 NPC1 (0.60) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL2457137 0.81 RAB9A (0.67) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL34717 0.78 NPC1 (0.49) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL13680588 0.78 TGFBR1 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL13680581 0.78 RAB9A (0.59) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL13286842 0.77 NPC1 (0.48) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL30572573 0.77 RAB9A (0.67) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL6881507 0.77 RAB9A (0.67) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL11911272 0.77 NPC1 (0.51) RAB9ANPC1POLBSMN1; SMN2MEN1

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