SCHEMBL13680522

SCHEMBL13680522

CC(=O)Nc1ccc(-c2nc(C)cs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
HTT P42858 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 9/20 0.51
GAA P10253 2/20 0.51
GFER P55789 1/20 0.51
MEN1 O00255 8/20 0.50
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 2/20 0.50
NFKB1 P19838 1/20 0.50
STAT1 P42224 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SREBF2 Q12772 1/20 0.50
HPGD P15428 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
SULT1A1 P50225 1/20 0.49

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
SCHEMBL13680537 0.86 KIF11 (0.54) RAB9ANPC1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL13680489 0.85 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL13680523 0.85 RAB9A (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL13680476 0.84 TSHR (0.47) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL13680574 0.80 RAB9A (0.49) RAB9ANPC1SMN1; SMN2KMT2AGFER
SCHEMBL13680741 0.80 KIF11 (0.43) RAB9ANPC1SMN1; SMN2KMT2AGAA
SCHEMBL8198560 0.79 CYP3A4 (0.60) RAB9ANPC1SMN1; SMN2KMT2AGAA
SCHEMBL13680487 0.79 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2KMT2AGAA
SCHEMBL7905176 0.77 CYP3A4 (0.58) RAB9ANPC1SMN1; SMN2KMT2AGAA
SCHEMBL13680747 0.77 CYP2C9 (0.42) RAB9ANPC1L3MBTL1GAAMAPT

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