SCHEMBL29679239

SCHEMBL29679239

O=C(NCc1ccc(C(=O)O)cn1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
EPHX2 P34913 1/20 0.44
FABP7 O15540 2/20 0.40
FABP5 Q01469 2/20 0.40
MDM4 O15151 1/20 0.40
TP53 P04637 1/20 0.40
CASP3 P42574 2/20 0.40
OPRD1 P41143 1/20 0.38
LDHA P00338 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
SCHEMBL29678978 0.82 KMT2A (0.56) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL118108 0.82 KMT2A (0.56) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL29402075 0.82 KMT2A (0.56) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL7872045 0.81 HCAR3 (0.51) KMT2AEPHX2FABP7FABP5MDM4
Benzoic Acid SCHEMBL27028192 0.80 KMT2A (0.56) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL346077 0.80 KMT2A (0.52) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL1855193 0.79 EPHX2 (0.53) KMT2AEPHX2
SCHEMBL22498215 0.79 KMT2A (0.55) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL7920181 0.78 KMT2A (0.52) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL3177417 0.78 KMT2A (0.62) KMT2AEPHX2FABP7FABP5CASP3

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-4003959-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER Bayer AS (NO) 2022-06-01 EP disclosed