SCHEMBL30708366

SCHEMBL30708366

CCOC(=O)C(C#N)c1cccc(Cl)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
CASP1 P29466 2/20 0.42
NOTUM Q6P988 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
NLRP3 Q96P20 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
GPR35 Q9HC97 1/20 0.36
TSHR P16473 1/20 0.36
MMP13 P45452 1/20 0.36
CASP7 P55210 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35

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
SCHEMBL22904598 0.88 MEN1 (0.45) KMT2AGAASMN1; SMN2MEN1CASP1
SCHEMBL6049525 0.86 MEN1 (0.50) KMT2AGAASMN1; SMN2MEN1CASP1
SCHEMBL29937045 0.86 NOTUM (0.40) KMT2AGAASMN1; SMN2MEN1CASP1
SCHEMBL26694790 0.86 NOTUM (0.40) KMT2AGAASMN1; SMN2MEN1CASP1
SCHEMBL7465410 0.86 MEN1 (0.56) KMT2AGAASMN1; SMN2MEN1CASP1
SCHEMBL8844912 0.85 KMT2A (0.49) KMT2AGAASMN1; SMN2MEN1CASP1
SCHEMBL1366941 0.84 KMT2A (0.48) KMT2AGAASMN1; SMN2MEN1TDP1
SCHEMBL22904512 0.84 SMN1; SMN2 (0.48) KMT2AGAASMN1; SMN2MEN1TDP1
SCHEMBL22904151 0.80 MEN1 (0.47) KMT2AGAASMN1; SMN2MEN1TDP1
SCHEMBL22904479 0.79 KMT2A (0.52) KMT2AGAASMN1; SMN2MEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547666-A1 METHODS FOR TREATMENT OF CANCER Frontier Medicines Corporation (US) 2025-05-07 EP disclosed
WO-2024006445-A1 METHODS FOR TREATMENT OF CANCER FRONTIER MEDICINES CORPORATION (US) 2024-01-04 WO disclosed