SCHEMBL29008608

SCHEMBL29008608

CC(Br)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.56
▸ CASP3 P42574 4/20 0.55
▸ EPHX2 P34913 1/20 0.52
▸ MDM4 O15151 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ PIN1 Q13526 1/20 0.46

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
SCHEMBL22923671 0.89 KMT2A (0.56) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL2625076 0.88 KMT2A (0.58) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL8451314 0.87 KMT2A (0.57) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL27495736 0.86 KMT2A (0.56) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL25002346 0.84 CASP3 (0.56) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL6239789 0.84 KMT2A (0.58) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL8130019 0.84 KMT2A (0.54) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL119043 0.84 CASP3 (0.57) KMT2ACASP3EPHX2MDM4TP53
Ethylene Glycol SCHEMBL9387617 0.84 KMT2A (0.54) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL3267363 0.84 KMT2A (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996755-A Bifunctional molecules and methods of use thereof 旗舰创业创新VI有限责任公司 2023-04-21 — — CN disclosed
Send feedback