SCHEMBL7560819

SCHEMBL7560819

COC(=O)C(=NNCc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
GLA P06280 1/20 0.40
RAB9A P51151 1/20 0.40
RIPK1 Q13546 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX12 P18054 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL14077429 0.79 SMN1; SMN2 (0.49) SMN1; SMN2TSHRLMNATDP1
SCHEMBL7560569 0.78 CA1 (0.44) SMN1; SMN2CA1CA2HPGDKMT2A
SCHEMBL7560081 0.76 L3MBTL1 (0.46) SMN1; SMN2CA1CA2HPGDTSHR
SCHEMBL6703692 0.76 SMN1; SMN2 (0.72) SMN1; SMN2CA1CA2TSHRKMT2A
SCHEMBL10333091 0.76 ALDH1A1 (0.52) SMN1; SMN2HPGDTSHRKMT2AALDH1A1
SCHEMBL5797662 0.76 SMN1; SMN2 (0.72) SMN1; SMN2CA1CA2TSHRKMT2A
SCHEMBL6157370 0.74 GAA (0.57) SMN1; SMN2HPGDTSHRKMT2AALDH1A1
SCHEMBL6025444 0.74 GAA (0.57) SMN1; SMN2HPGDTSHRKMT2AALDH1A1
SCHEMBL6025442 0.74 GAA (0.57) SMN1; SMN2HPGDTSHRKMT2AALDH1A1
SCHEMBL7564185 0.74 SMN1; SMN2 (0.47) SMN1; SMN2TSHRKMT2AALDH1A1NPC1

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
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed