SCHEMBL8015010

SCHEMBL8015010

COc1ccc(CCNC(=O)CN)cc1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.69
PTPN1 P18031 1/20 0.68
ALDH1A1 P00352 3/20 0.64
POLB P06746 1/20 0.63
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
KMT2A Q03164 3/20 0.61
GLA P06280 1/20 0.61
MEN1 O00255 2/20 0.60
HPGD P15428 1/20 0.59

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
Hydrochloric Acid SCHEMBL3660095 0.98 SMN1; SMN2 (0.67) SMN1; SMN2PTPN1ALDH1A1POLBCA12
SCHEMBL12773610 0.88 SMN1; SMN2 (0.75) SMN1; SMN2PTPN1ALDH1A1POLBCA12
SCHEMBL5302419 0.85 SMN1; SMN2 (0.71) SMN1; SMN2PTPN1ALDH1A1POLBCA12
SCHEMBL9853024 0.85 SMN1; SMN2 (0.71) SMN1; SMN2PTPN1ALDH1A1POLBKMT2A
SCHEMBL11441525 0.85 SMN1; SMN2 (0.71) SMN1; SMN2PTPN1ALDH1A1POLBCA12
SCHEMBL9496042 0.84 SMN1; SMN2 (0.55) SMN1; SMN2PTPN1ALDH1A1KMT2AMEN1
SCHEMBL23417615 0.84 POLB (0.77) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL5805271 0.84 SMN1; SMN2 (0.69) SMN1; SMN2PTPN1ALDH1A1POLBCA12
SCHEMBL6531735 0.84 SMN1; SMN2 (0.69) SMN1; SMN2PTPN1ALDH1A1POLBCA12
SCHEMBL6530877 0.84 SMN1; SMN2 (0.69) SMN1; SMN2PTPN1ALDH1A1POLBKMT2A

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
WO-2009079624-A1 4-IMIDAZOLIDINONES AS KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-06-25 WO disclosed