SCHEMBL7402295

SCHEMBL7402295

C=CCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
EPHX2 P34913 1/20 0.50
CASP3 P42574 2/20 0.45
FABP7 O15540 2/20 0.43
FABP5 Q01469 2/20 0.43
MDM4 O15151 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL7402885 0.92 KMT2A (0.66) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL7403546 0.91 KMT2A (0.68) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL17130452 0.91 KMT2A (0.60) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL6285024 0.90 KMT2A (0.70) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL31031847 0.88 KMT2A (0.63) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL1893763 0.88 KMT2A (0.63) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL6375583 0.85 KMT2A (0.66) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL31726952 0.84 KMT2A (0.59) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL10018066 0.83 KMT2A (0.58) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL163534 0.83 KMT2A (0.67) KMT2AEPHX2CASP3FABP7FABP5

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
WO-2022234853-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS 中外製薬株式会社 2022-11-10 WO disclosed
EP-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 EP disclosed
US-5710159-A IMIDAZOLIN-2-YLAMINOPROPOXY)ISOXAZOL-5-CARBONYLAMINO-2 -BENZYLOXYCARBONYLAMINOPROPIONIC ACID AS ANTIINFLAMMATORY AGENTS, BONE DEGRADATION, TUMORS, METASTASES AND THROMBOSIS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-20 US disclosed
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO disclosed