SCHEMBL21574286

SCHEMBL21574286

O=Cc1ccc(F)c(NC(=O)CNCc2ccccc2F)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.49
MEN1 O00255 5/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.42
RAB9A P51151 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL19910360 0.82 KMT2A (0.52) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL18254566 0.81 KMT2A (0.51) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL19328847 0.73 KDM4E (0.54) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL21574212 0.73 KDM4E (0.43) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL16702802 0.70 KMT2A (0.53) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL18198052 0.69 MPO (0.50) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL9903749 0.69 SCN3A (0.63) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL29953440 0.68 RAB9A (0.52) ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL16709794 0.68 ALDH1A1 (0.54) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL4436999 0.67 PDK1 (0.44) KMT2AMEN1KDM4EALDH1A1RAB9A

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-3288948-B1 FUSED TRICYCLIC PYRAZOLE DERIVATIVES USEFUL FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2019-11-20 EP disclosed