SCHEMBL9635836

SCHEMBL9635836

NC(=O)c1nc(-c2ccccc2)sc1C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.61
DBF4 Q9UBU7 6/20 0.61
CCNE1 P24864 2/20 0.61
CDK2 P24941 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TBK1 Q9UHD2 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
TRPM8 Q7Z2W7 2/20 0.49
LMNA P02545 1/20 0.49
CYP2C19 P33261 1/20 0.49
IKBKB O14920 2/20 0.46
CYP2C9 P11712 1/20 0.46
BTK Q06187 1/20 0.46
MAP2K3 P46734 1/20 0.46

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
SCHEMBL30511202 0.97 CDC7 (0.58) CDC7DBF4CCNE1CDK2SMN1; SMN2
SCHEMBL11119245 0.85 CDC7 (0.71) CDC7DBF4CCNE1CDK2TBK1
SCHEMBL7456488 0.85 ALDH1A1 (0.65) CDC7DBF4CCNE1CDK2SMN1; SMN2
SCHEMBL4740819 0.83 CDC7 (0.85) CDC7DBF4CCNE1CDK2SMN1; SMN2
SCHEMBL14059455 0.83 TBK1 (0.50) CDC7DBF4CCNE1CDK2SMN1; SMN2
SCHEMBL4243016 0.81 SMN1; SMN2 (0.76) CDC7DBF4CCNE1CDK2SMN1; SMN2
SCHEMBL2810460 0.79 SMN1; SMN2 (0.67) CDC7DBF4CCNE1CDK2SMN1; SMN2
SCHEMBL1246769 0.78 TBK1 (0.49) CDC7DBF4CCNE1CDK2SMN1; SMN2
SCHEMBL6628198 0.76 CDC7 (0.62) CDC7DBF4CCNE1CDK2TBK1
SCHEMBL27897368 0.76 SMN1; SMN2 (0.54) CDC7DBF4CCNE1CDK2SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5147553-A Separation of fluid mixture IONICS, INCORPORATED (US) 1992-09-15 US disclosed