SCHEMBL13680537

SCHEMBL13680537

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.54
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 3/20 0.46
PPARA Q07869 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 3/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
PEPD P12955 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL13680522 0.86 RAB9A (0.55) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL13680741 0.85 KIF11 (0.43) KIF11MEN1KMT2ARAB9ANPC1
SCHEMBL13680523 0.84 RAB9A (0.51) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL13680489 0.84 SMN1; SMN2 (0.47) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL13680476 0.82 TSHR (0.47) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL13680482 0.80 TGFBR1 (0.51) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL13680574 0.79 RAB9A (0.49) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8198560 0.78 CYP3A4 (0.60) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7905176 0.76 CYP3A4 (0.58) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL19627035 0.76 RAB9A (0.70) KIF11MEN1KMT2ARAB9ANPC1

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