SCHEMBL13680476

SCHEMBL13680476

Cc1csc(-c2ccc(NC(=O)N(C)C)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
RAB9A P51151 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PPARA Q07869 1/20 0.44
POLB P06746 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL13680574 0.85 RAB9A (0.49) TSHRRAB9AMEN1KMT2ANPC1
SCHEMBL13680522 0.84 RAB9A (0.55) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL13680537 0.82 KIF11 (0.54) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL13680489 0.81 SMN1; SMN2 (0.47) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL13680523 0.81 RAB9A (0.51) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL13680528 0.78 ALDH1A1 (0.45) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL13680940 0.77 TP53 (0.45) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL13680741 0.77 KIF11 (0.43) TSHRRAB9AMEN1KMT2ANPC1
SCHEMBL8198560 0.76 CYP3A4 (0.60) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL13680526 0.74 RAB9A (0.54) TSHRRAB9AKMT2ANPC1SMN1; 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
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