SCHEMBL8469067

SCHEMBL8469067

Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.43
CA9 Q16790 4/20 0.43
F2 P00734 8/20 0.39
PRSS1 P07477 8/20 0.39
PRSS2 P07478 8/20 0.39
PRSS3 P35030 8/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PLAU P00749 1/20 0.37
HPN P05981 1/20 0.37

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
SCHEMBL30522455 1.00 CA12 (0.43) CA12CA9F2PRSS1PRSS2
SCHEMBL29543947 0.91 CA12 (0.45) CA12CA9F2PRSS1PRSS2
SCHEMBL29567304 0.90 CA12 (0.43) CA12CA9F2PRSS1PRSS2
Hydrochloric Acid SCHEMBL29804450 0.89 CA12 (0.43) CA12CA9F2PRSS1PRSS2
SCHEMBL29566105 0.88 KDM4E (0.44) CA12CA9KDM4EALDH1A1USP2
SCHEMBL12955580 0.86 F2 (0.44) F2PRSS1PRSS2PRSS3PLAU
Hydrochloric Acid SCHEMBL29692752 0.85 NTMT1 (0.43) CA12CA9F2PRSS1PRSS2
SCHEMBL30503068 0.85 KDM4E (0.43) CA12CA9KDM4EALDH1A1USP2
SCHEMBL11349320 0.84 KDM4E (0.42) KDM4EALDH1A1USP2POLBHPGD
SCHEMBL11349327 0.84 KDM4E (0.42) KDM4EALDH1A1USP2POLBHPGD

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-5935802-A Method of assaying a blood sample for prothrombin EVANSTON NORTHWESTERN HEALTHCARE RESEARCH INSTITUTE (US) 1999-08-10 US disclosed