SCHEMBL6980324

SCHEMBL6980324

C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)F

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ CASP3 P42574 4/20 0.53
▸ EPHX2 P34913 1/20 0.50
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ PIN1 Q13526 1/20 0.45

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
SCHEMBL23525155 1.00 KMT2A (0.53) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL29390431 1.00 KMT2A (0.53) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL7156981 1.00 KMT2A (0.53) KMT2ACASP3EPHX2MDM4TP53
Hydrochloric Acid SCHEMBL1344001 0.89 CASP3 (0.56) KMT2ACASP3EPHX2MDM4TP53
Hydrochloric Acid SCHEMBL30428250 0.89 CASP3 (0.56) KMT2ACASP3EPHX2MDM4TP53
Hydrochloric Acid SCHEMBL28884223 0.89 CASP3 (0.56) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL178736 0.88 CASP3 (0.57) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL12681450 0.88 CASP3 (0.56) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL16000770 0.88 KMT2A (0.54) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL25002346 0.88 CASP3 (0.56) KMT2ACASP3EPHX2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 — — EP disclosed
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 — — US disclosed
EP-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 — — EP disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 — — WO disclosed
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