SCHEMBL13373448

SCHEMBL13373448

CC(=O)NC1Cc2cn[nH]c2C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.43
MTNR1B P49286 5/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA9 Q16790 1/20 0.41
PIM1 P11309 1/20 0.41
FLT3 P36888 1/20 0.41
MAPK1 P28482 1/20 0.37

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
SCHEMBL11240523 0.86 MTNR1A (0.54) MTNR1AMTNR1BFLT3MAPK1
SCHEMBL11243423 0.86 MTNR1A (0.54) MTNR1AMTNR1BFLT3MAPK1
SCHEMBL11222659 0.82 MTNR1A (0.49) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL2827572 0.72 DAPK3 (0.49) MTNR1AMTNR1BPIM1FLT3MAPK1
SCHEMBL19768747 0.71 KMT2A (0.42) PIM1FLT3
SCHEMBL25590503 0.71 KDM5A (0.38) MTNR1AMTNR1BMAPK1
SCHEMBL8167570 0.70 CA1 (0.44) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL12777459 0.70 CA1 (0.44) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL1029693 0.70 MTNR1A (0.77) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL30595323 0.70 MTNR1A (0.77) MTNR1AMTNR1BCA1CA2CA12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed