SCHEMBL10945116

SCHEMBL10945116

N=C(N)c1ccc(OC(=O)c2ccccc2N)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.57
▸ HSD17B10 Q99714 5/20 0.57
▸ HPGD P15428 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ GLA P06280 1/20 0.57
▸ PRSS1 P07477 8/20 0.49
▸ TMPRSS15 P98073 6/20 0.49
▸ PARP10 Q53GL7 1/20 0.49
▸ CFTR P13569 1/20 0.49
▸ F12 P00748 2/20 0.46
▸ F2 P00734 2/20 0.46
▸ ST14 Q9Y5Y6 2/20 0.46
▸ PLAU P00749 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PRSS2 P07478 2/20 0.44
▸ PRSS3 P35030 2/20 0.44
▸ TMPRSS6 Q8IU80 1/20 0.44
▸ ALOX15 P16050 1/20 0.44

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
SCHEMBL9861291 0.87 HSD17B10 (0.71) ALDH1A1HSD17B10HPGDKDM4EGLA
SCHEMBL10941042 0.84 PRSS1 (0.50) ALDH1A1HSD17B10HPGDKDM4EGLA
SCHEMBL10889487 0.83 KMT2A (0.56) ALDH1A1PRSS1TMPRSS15PARP10F12
SCHEMBL17744854 0.83 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDKDM4EGLA
Hydrochloric Acid SCHEMBL11144929 0.82 KMT2A (0.55) ALDH1A1PRSS1TMPRSS15PARP10F12
SCHEMBL6430896 0.82 ALDH1A1 (0.65) ALDH1A1HSD17B10HPGDKDM4EGLA
SCHEMBL444509 0.81 HSD17B10 (0.64) ALDH1A1HSD17B10HPGDKDM4EGLA
SCHEMBL10872021 0.81 ALDH1A1 (0.68) ALDH1A1HSD17B10HPGDKDM4EGLA
SCHEMBL10894177 0.81 MAPT (0.62) ALDH1A1HPGDPRSS1F12F2
SCHEMBL6890545 0.81 HSD17B10 (0.72) ALDH1A1HSD17B10HPGDKDM4EGLA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0091240-B1 ENZYME DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1985-12-27 — — EP disclosed
US-4507283-A STREPTOKINASE-HUMAN PLASMINOGEN ACTIVATOR COMPLEX BLOCKED BY A 2- OR 4-AMINOBENZOYL GROUP; ANTICOAGULANT BEECHAM GROUP P.L.C. (GB) 1985-03-26 — — US disclosed
EP-0091240-A2 Enzyme derivatives, process for preparing them and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1983-10-12 — — EP disclosed
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