SCHEMBL13972725

SCHEMBL13972725

NC1CCC(C(=O)Nc2ccc(F)c(F)c2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
EPHX2 P34913 8/20 0.51
TP53 P04637 1/20 0.45
MEN1 O00255 2/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL13972908 0.80 SMN1; SMN2 (0.59) KMT2AEPHX2MEN1TSHRALDH1A1
SCHEMBL19463023 0.77 KMT2A (0.50) KMT2AEPHX2MEN1TSHRALDH1A1
SCHEMBL18208526 0.75 KMT2A (0.56) KMT2ATP53ALDH1A1HDAC3HDAC1
SCHEMBL18208524 0.75 KMT2A (0.56) KMT2ATP53ALDH1A1HDAC3HDAC1
SCHEMBL10114715 0.75 KMT2A (0.46) KMT2AEPHX2TP53TSHRLMNA
SCHEMBL13204296 0.75 KMT2A (0.46) KMT2AEPHX2TP53TSHRLMNA
SCHEMBL10114328 0.75 NPY5R (0.55) KMT2AEPHX2TP53MEN1TSHR
SCHEMBL10133393 0.75 NPY5R (0.55) KMT2AEPHX2TP53MEN1TSHR
SCHEMBL13716462 0.75 RAB9A (0.64) KMT2AALDH1A1LMNAHDAC1HDAC2
Hydrochloric Acid SCHEMBL18208696 0.74 KMT2A (0.55) KMT2ATP53ALDH1A1HDAC3HDAC1

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-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed