SCHEMBL8087947

SCHEMBL8087947

CCCCNC(=O)c1cc(N)cc(N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
NAAA Q02083 2/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
CA2 P00918 3/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA3 P07451 2/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
CA5A P35218 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA13 Q8N1Q1 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
MMP2 P08253 1/20 0.47
HTR2A P28223 1/20 0.46
ALOX15 P16050 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
SCHEMBL8854336 0.93 NAAA (0.61) SMN1; SMN2NAAAL3MBTL1CA2EPHX1
SCHEMBL9171034 0.90 NAAA (0.61) SMN1; SMN2NAAAL3MBTL1CA2EPHX1
SCHEMBL9169068 0.90 NAAA (0.61) SMN1; SMN2NAAAL3MBTL1CA2EPHX1
SCHEMBL2914113 0.87 SMN1; SMN2 (0.79) SMN1; SMN2NAAATSHRHTTL3MBTL1
SCHEMBL1003426 0.84 SMN1; SMN2 (0.64) SMN1; SMN2NAAATSHRHTTL3MBTL1
SCHEMBL6258472 0.83 SMN1; SMN2 (0.79) SMN1; SMN2NAAATSHRHTTL3MBTL1
SCHEMBL20991401 0.83 SMN1; SMN2 (0.73) SMN1; SMN2NAAATSHRHTTL3MBTL1
SCHEMBL5940563 0.82 LMNA (0.64) SMN1; SMN2NAAATSHRHTTL3MBTL1
SCHEMBL2588584 0.82 SMN1; SMN2 (0.67) SMN1; SMN2NAAATSHRHTTL3MBTL1
SCHEMBL9979205 0.81 SMN1; SMN2 (0.70) SMN1; SMN2NAAATSHRHTTL3MBTL1

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-6013760-A COPOLYMER HAVING SUCCINYL DICARBOXYCYCLOHEXENE DERIVATIVE AND DIAMINOBENZAMIDE DERIVATIVE UNITS; PROCESSABILITY KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-01-11 US disclosed