SCHEMBL7106372

SCHEMBL7106372

O=C(Nc1ccc(CCOC2CCCCO2)cc1Cl)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 6/20 0.43
PDK2 Q15119 6/20 0.43
PDK3 Q15120 6/20 0.43
PDK4 Q16654 6/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KCNA5 P22460 1/20 0.39
SCN5A Q14524 1/20 0.39
DRD4 P21917 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 2/20 0.36
CREBBP Q92793 1/20 0.35
P2RX3 P56373 1/20 0.35
CHEK1 O14757 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
SCHEMBL7106376 1.00 PDK1 (0.43) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL5458354 0.77 KDM4C (0.47) KMT2AMEN1KDM4CL3MBTL1KCNA5
SCHEMBL7103094 0.74 PDK1 (0.46) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL14135410 0.74 MEN1 (0.47) KMT2AMEN1KDM4CL3MBTL1HPGD
SCHEMBL9570948 0.73 KDM4C (0.49) KMT2AMEN1KDM4CL3MBTL1KCNA5
SCHEMBL7101982 0.72 KCNA5 (0.36) KMT2AMEN1KDM4CL3MBTL1KCNA5
SCHEMBL8575515 0.72 MGLL (0.35) KMT2AMEN1KDM4CL3MBTL1KCNA5
SCHEMBL7101987 0.72 KCNA5 (0.36) KMT2AMEN1KDM4CL3MBTL1KCNA5
SCHEMBL16979834 0.70 KDM4C (0.49) KMT2AMEN1KDM4CL3MBTL1KCNA5
SCHEMBL7272362 0.70 KDM4C (0.49) KMT2AMEN1KDM4CL3MBTL1KCNA5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043308-B1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2003-09-24 EP disclosed
US-6353025-B1 COMPOUNDS AS DRUGS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
EP-1043308-A1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2000-10-11 EP disclosed