Trifluoromethylbenzene

SCHEMBL8545298

COC(=O)CCn1cc(Cc2ccc(F)cc2)c2cc(N=S(=O)=O)ccc21.FC(F)(F)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	HDAC3	O15379	6/20	0.39

▸	HDAC4	P56524	5/20	0.39

▸	HDAC1	Q13547	5/20	0.39

▸	HDAC2	Q92769	5/20	0.39

▸	HDAC7	Q8WUI4	4/20	0.39

▸	HDAC10	Q969S8	4/20	0.39

▸	HDAC11	Q96DB2	4/20	0.39

▸	HDAC8	Q9BY41	4/20	0.39

▸	HDAC6	Q9UBN7	4/20	0.39

▸	HDAC9	Q9UKV0	4/20	0.39

▸	HDAC5	Q9UQL6	4/20	0.39

▸	TBXAS1	P24557	1/20	0.39

▸	BRD4	O60885	1/20	0.39

▸	NCOR2	Q9Y618	1/20	0.39

▸	ICMT	O60725	3/20	0.36

▸	CNR1	P21554	1/20	0.36

▸	CNR2	P34972	1/20	0.36

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.

Compound	similarity	top predicted	shared targets
Anisole SCHEMBL8538928	0.90	HDAC3 (0.40)	HDAC3HDAC4HDAC1HDAC2HDAC7
Anisole SCHEMBL8537548	0.83	TBXAS1 (0.44)	HDAC3HDAC4HDAC1HDAC2HDAC7
Toluene SCHEMBL8543856	0.82	TBXAS1 (0.46)	HDAC3HDAC4HDAC1HDAC2HDAC7
SCHEMBL8637450	0.76	TBXAS1 (0.59)	TBXAS1
SCHEMBL8543940	0.74	TBXAS1 (0.65)	TBXAS1
SCHEMBL8538149	0.73	HDAC4 (0.44)	HDAC3HDAC4HDAC1HDAC2HDAC7
SCHEMBL8539906	0.71	TBXAS1 (0.65)	TBXAS1
SCHEMBL8539573	0.68	TBXAS1 (0.71)	TBXAS1
SCHEMBL8539323	0.68	TBXAS1 (0.61)	TBXAS1
SCHEMBL8581509	0.68	TBXAS1 (0.61)	TBXAS1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0715627-B1	INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS	PFIZER LTD (GB)	1998-09-09	—	—	EP	claimed