SCHEMBL7470424

COC(=O)n1c(C(F)(F)F)cc2c3c(cc(O)c21)N(C(=O)c1cc2cc(NC(=O)c4cc5c(OC)c(OC)c(OC)cc5nn4)ccc2[nH]1)CC3CCl

nearest known ligand 0.33

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ABCB1	P08183	4/20	0.33

▸	P4HB	P07237	1/20	0.32

▸	HSP90AA1	P07900	1/20	0.32

▸	MEN1	O00255	1/20	0.31

▸	KMT2A	Q03164	1/20	0.31

▸	CFD	P00746	4/20	0.30

▸	ADH1A	P07327	1/20	0.30

▸	KIT	P10721	1/20	0.30

▸	FLT1	P17948	1/20	0.30

▸	FLT4	P35916	1/20	0.30

▸	KDR	P35968	1/20	0.30

▸	ABL2	P42684	1/20	0.30

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
SCHEMBL8831002	0.84	ABCB1 (0.33)	ABCB1P4HBHSP90AA1MEN1KMT2A
SCHEMBL7458517	0.75	P4HB (0.34)	ABCB1P4HBHSP90AA1MEN1KMT2A
SCHEMBL8831163	0.75	P4HB (0.34)	ABCB1P4HBHSP90AA1MEN1KMT2A
SCHEMBL7473629	0.75	P4HB (0.34)	ABCB1P4HBHSP90AA1MEN1KMT2A
SCHEMBL7462825	0.74	KMT2A (0.41)	ABCB1P4HBHSP90AA1MEN1KMT2A
SCHEMBL7467645	0.72	P4HB (0.41)	ABCB1P4HBHSP90AA1MEN1KMT2A
SCHEMBL12392913	0.71	ADH1A (0.36)	ABCB1ADH1AKITFLT1FLT4
SCHEMBL19592496	0.71	ADH1A (0.36)	ABCB1ADH1AKITFLT1FLT4
SCHEMBL14665534	0.71	KMT2A (0.41)	ABCB1P4HBHSP90AA1MEN1KMT2A
SCHEMBL7476015	0.70	P4HB (0.34)	ABCB1P4HBHSP90AA1MEN1KMT2A

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-0656360-B1	TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME	KYORIN SEIYAKU KK (JP)	2002-11-20	—	—	EP	disclosed