SCHEMBL9535443

SCHEMBL9535443

CCOC(=O)OC1CCCCN1C(=O)Cc1c(F)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.42
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
OPRK1 P41145 3/20 0.37
POLB P06746 1/20 0.37
OPRM1 P35372 1/20 0.37
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
OPRD1 P41143 1/20 0.36
TACR1 P25103 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
SCHEMBL9539291 0.94 KMT2A (0.44) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL9727211 0.86 KDM4E (0.51) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL9539327 0.83 OPRK1 (0.42) KMT2AMEN1SMN1; SMN2OPRK1OPRM1
SCHEMBL9534208 0.82 KMT2A (0.60) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL9536545 0.81 KDM4E (0.38) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL9535638 0.81 TACR1 (0.39) KMT2AMEN1SMN1; SMN2OPRK1MAPT
SCHEMBL9538148 0.80 KMT2A (0.42) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL9727534 0.79 ALDH1A1 (0.54) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL9538662 0.79 SMN1; SMN2 (0.41) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL9538257 0.79 KMT2A (0.49) KMT2AMEN1SMN1; SMN2GAAALDH1A1

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-0355599-B1 3-ARYL-PYRROLIDINE-2,4-DIONES BAYER AG (DE) 1993-05-19 EP disclosed
EP-0355599-A1 3-Aryl-pyrrolidine-2,4-diones BAYER AG (DE) 1990-02-28 EP disclosed