SCHEMBL14970879

SCHEMBL14970879

COc1ccc(/C(N)=N/S)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
PRSS1 P07477 1/20 0.55
PRSS2 P07478 1/20 0.55
PRSS3 P35030 1/20 0.55
PARP1 P09874 1/20 0.55
PARP2 Q9UGN5 1/20 0.55
PARP4 Q9UKK3 1/20 0.55
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ATM Q13315 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL103228 0.81 SMN1; SMN2 (0.63) PARP10CA1CA2PRSS1PRSS2
SCHEMBL103227 0.81 SMN1; SMN2 (0.63) PARP10CA1CA2PRSS1PRSS2
SCHEMBL9892335 0.79 PRSS1 (0.61) PARP10CA1CA2PRSS1PRSS2
SCHEMBL5423613 0.78 NOS3 (0.68) PARP10CA1CA2PRSS1PRSS2
SCHEMBL22044399 0.76 NOS3 (0.55) PARP10CA1CA2PRSS1PRSS2
SCHEMBL6913760 0.76 CA1 (0.52) PARP10CA1CA2PRSS1PRSS2
SCHEMBL3052606 0.76 LMNA (0.65) PARP10CA1CA2PRSS1PRSS2
SCHEMBL3052608 0.76 LMNA (0.65) PARP10CA1CA2PRSS1PRSS2
SCHEMBL10925317 0.75 CA1 (0.67) PARP10CA1CA2PRSS1PRSS2
SCHEMBL17547216 0.75 PARP10 (0.50) PARP10CA1CA2PRSS1PRSS2

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-2013074059-A2 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-05-23 WO disclosed