SCHEMBL9243776

SCHEMBL9243776

O=C(Nc1ccc(Oc2ccccc2)cc1)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.67
PDK2 Q15119 1/20 0.67
PDK3 Q15120 1/20 0.67
PDK4 Q16654 1/20 0.67
HDAC1 Q13547 5/20 0.58
HDAC7 Q8WUI4 5/20 0.58
HDAC8 Q9BY41 5/20 0.58
HDAC6 Q9UBN7 4/20 0.58
HDAC3 O15379 3/20 0.58
HDAC4 P56524 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC10 Q969S8 3/20 0.58
HDAC11 Q96DB2 3/20 0.58
HDAC9 Q9UKV0 3/20 0.58
HDAC5 Q9UQL6 3/20 0.58
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PGR P06401 1/20 0.57
TGM2 P21980 1/20 0.54
RNF4 P78317 1/20 0.54

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
SCHEMBL17272756 0.87 PDK1 (0.70) PDK1PDK2PDK3PDK4HDAC1
SCHEMBL6928414 0.80 HPGD (0.67) PDK1PDK2PDK3PDK4HPGD
SCHEMBL14253966 0.80 PDK1 (0.70) PDK1PDK2PDK3PDK4HPGD
SCHEMBL30249298 0.80 HDAC1 (0.70) PDK1PDK2PDK3PDK4HDAC1
SCHEMBL8846991 0.78 HDAC1 (0.72) PDK1PDK2PDK3PDK4HDAC1
SCHEMBL4653369 0.77 HPGD (0.70) HPGDSMN1; SMN2PGRTGM2RNF4
SCHEMBL30053559 0.77 CA12 (0.73) HPGDSMN1; SMN2PGRTGM2RNF4
SCHEMBL4265086 0.76 EPHX2 (0.69) PDK1PDK2PDK3PDK4HPGD
SCHEMBL21295380 0.75 CA12 (0.71) HPGDSMN1; SMN2PGRTGM2RNF4
SCHEMBL2887967 0.75 HDAC1 (0.78) PDK1PDK2PDK3PDK4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5436310-A Aromatic polymers RAYCHEM CORPORATION (US) 1995-07-25 US disclosed
EP-0178185-B1 NOVEL AROMATIC POLYMERS RAYCHEM CORPORATION (a Delaware corporation) (US) 1991-04-10 EP disclosed
US-4868271-A POLYETHER KETONES RAYCHEM CORPORATION (US) 1989-09-19 US disclosed
WO-1986002368-A1 AROMATIC POLY(ETHER KETONES) HAVING IMIDE, AMIDE, ESTER, AZO, QUINOXALINE, BENZIMIDAZOLE, BENZOXAZOLE OR BENZOTHIAZOLE GROUPS AND METHOD OF PREPARATION RAYCHEM CORPORATION (US) 1986-04-24 WO disclosed
EP-0178185-A2 Novel aromatic polymers RAYCHEM CORPORATION (a Delaware corporation) (US) 1986-04-16 EP disclosed