SCHEMBL7403085

SCHEMBL7403085

CC(C)(C)OC(=O)NCC1CCC(C(=O)N[C@@H](Cc2ccc(Oc3cc(Cl)ccc3[N+](=O)[O-])cc2)C(=O)Nc2ccncc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ BCL2 P10415 5/20 0.40
▸ MCL1 Q07820 5/20 0.39
▸ PLG P00747 6/20 0.39
▸ PRSS1 P07477 4/20 0.39
▸ PRSS2 P07478 4/20 0.39
▸ PRSS3 P35030 4/20 0.39
▸ PLAU P00749 1/20 0.39
▸ BCL2L1 Q07817 1/20 0.38

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
SCHEMBL7403089 1.00 ATM (0.43) ATMKMT2AMEN1BCL2MCL1
Dalfampridine SCHEMBL10421059 0.89 KMT2A (0.48) ATMKMT2AMEN1BCL2MCL1
SCHEMBL7365350 0.87 PRSS1 (0.49) PLGPRSS1PRSS2PRSS3PLAU
SCHEMBL10420943 0.87 PRSS1 (0.49) PLGPRSS1PRSS2PRSS3PLAU
Hydrochloric Acid SCHEMBL10419784 0.87 PRSS1 (0.49) PLGPRSS1PRSS2PRSS3PLAU
Hydrochloric Acid SCHEMBL10419782 0.87 PRSS1 (0.49) PLGPRSS1PRSS2PRSS3PLAU
Hydrochloric Acid SCHEMBL7365367 0.86 BCL2 (0.49) BCL2MCL1
Hydrochloric Acid SCHEMBL7430308 0.80 PRSS1 (0.48) PLGPRSS1PRSS2PRSS3PLAU
Hydrochloric Acid SCHEMBL7430320 0.80 PRSS1 (0.48) PLGPRSS1PRSS2PRSS3PLAU
SCHEMBL16604396 0.73 F11 (0.61) ATMKMT2AMEN1PLGPRSS1

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-0217286-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1987-04-08 — — EP disclosed
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