SCHEMBL19775271

SCHEMBL19775271

CNC1CCCN(C(=O)c2ccc(-c3noc(C(C)(F)F)c3C)s2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK14 Q16539 2/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
YEATS4 O95619 1/20 0.36
GFER P55789 2/20 0.36
KDM1A O60341 2/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SPR P35270 1/20 0.35
HDAC4 P56524 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL3240757 0.94 MEN1 (0.42) MEN1KMT2AMAPK14CDK4CCND1
SCHEMBL3252673 0.94 MEN1 (0.42) MEN1KMT2AMAPK14CDK4CCND1
SCHEMBL4098014 0.94 MEN1 (0.42) MEN1KMT2AMAPK14CDK4CCND1
SCHEMBL11357600 0.88 CDK4 (0.42) MEN1KMT2AMAPK14CDK4CCND1
SCHEMBL21230205 0.88 RECQL (0.42) MEN1KMT2AMAPK14YEATS4LMNA
SCHEMBL11357718 0.88 CDK4 (0.42) MEN1KMT2AMAPK14CDK4CCND1
SCHEMBL21230204 0.88 CDK4 (0.42) MEN1KMT2AMAPK14CDK4CCND1
SCHEMBL19775229 0.87 ACKR3 (0.41) MEN1KMT2AMAPK14YEATS4LMNA
SCHEMBL16373443 0.86 KMT2A (0.42) MEN1KMT2AMAPK14YEATS4GFER
SCHEMBL21230194 0.86 RAB9A (0.42) MEN1KMT2AMAPK14YEATS4LMNA

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-2182809-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD (KY) 2018-01-17 EP disclosed