SCHEMBL9753642

SCHEMBL9753642

O=C(Nc1ccccc1C(=O)N1CCCC1C(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
HDAC1 Q13547 1/20 0.47
NPSR1 Q6W5P4 3/20 0.44
KCNK2 O95069 1/20 0.43
KCNK10 P57789 1/20 0.43
POLB P06746 1/20 0.43
HSD11B1 P28845 2/20 0.43
HSD17B1 P14061 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA5 P08648 1/20 0.41
ITGA4 P13612 1/20 0.41
DPP4 P27487 1/20 0.41

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
SCHEMBL9536551 1.00 KMT2A (0.51) KMT2AMEN1HDAC1NPSR1KCNK2
SCHEMBL8634319 0.82 GAA (0.45) NPSR1SMN1; SMN2
SCHEMBL9069914 0.82 CA2 (0.49) ALDH1A1
SCHEMBL8635668 0.77 PREP (0.64) KMT2APOLBCYP2C19ALDH1A1
SCHEMBL9538915 0.77 PREP (0.64) KMT2APOLBCYP2C19ALDH1A1
SCHEMBL18386410 0.72 NPSR1 (0.67) KMT2AMEN1HDAC1NPSR1ALDH1A1
SCHEMBL11783834 0.71 ITGB3 (0.57) KMT2ASMN1; SMN2ITGB3ITGB1ITGAV
SCHEMBL11783845 0.71 ITGB3 (0.57) KMT2ASMN1; SMN2ITGB3ITGB1ITGAV
SCHEMBL12857367 0.68 PYGL (0.46) KMT2APOLBSMN1; SMN2ITGB3ITGB1
SCHEMBL29039362 0.67 LMNA (0.39) CYP2C19

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
WO-1991018891-A1 AROMATIC PYRROLIDINE AND THIAZOLIDINE AMIDES PFIZER INC. (US) 1991-12-12 WO disclosed