SCHEMBL10488341

CC(CO)(CO)NCc1cccc2c(Cl)c3ccccc3cc12.CC(CO)(CO)NCc1cccc2c(Cl)c3ccccc3cc12.CC(CO)(CO)NCc1cccc2c(Cl)c3ccccc3cc12.CC(CO)(CO)NCc1cccc2c(Cl)c3ccccc3cc12.CC(CO)(CO)NCc1cccc2c(Cl)c3ccccc3cc12.CC(CO)(CO)NCc1cccc2c(Cl)c3ccccc3cc12.CC(CO)(CO)NCc1cccc2c(Cl)c3ccccc3cc12.CC(CO)(CO)NCc1cccc2c(Cl)c3ccccc3cc12.CC(CO)(CO)NCc1cccc2c(Cl)c3ccccc3cc12.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

ABL1 ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB2 AGTR1 BCL2 BCL2A1 BCL2L1 BCL2L10 BCL2L2 BCR BRAF CHRM1 CHRNA10 CHRNA9 DRD1 DRD2 DRD3 DRD4 DRD5 EGFR F2 FLT1 FLT4 GCK GHSR GNRHR GRIN1 GRIN2A GRIN2B GRIN2C GRIN2D GRIN3A GRIN3B HTR1A HTR1B HTR1D HTR2A HTR2C HTR3A IDH2 KDR KIT MAOB MCL1 MTTP P P4HB PDGFRB PIK3CA PIK3CB PIK3CD PIK3CG PIK3R1 PIK3R2 PIK3R3 PIK3R5 PIKFYVE ROCK1 ROCK2 SLC18A2 SLC6A2 SLC6A3 SLC6A4 TACR1 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 gyrA gyrB parC parE pol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	SLC2A1	P11166	2/20	0.50

▸	CA2	P00918	2/20	0.36

▸	NQO2	P16083	1/20	0.35

▸	PTGS2	P35354	1/20	0.34

▸	GUSB	P08236	4/20	0.34

▸	CD274	Q9NZQ7	3/20	0.33

▸	MAPT	P10636	2/20	0.33

▸	PDCD1	Q15116	2/20	0.33

▸	CYP1A2	P05177	1/20	0.33

▸	CYP3A4	P08684	1/20	0.33

▸	CYP2D6	P10635	1/20	0.33

▸	PKM	P14618	1/20	0.33

▸	CYP2C19	P33261	1/20	0.33

▸	MEN1	O00255	1/20	0.33

▸	KMT2A	Q03164	1/20	0.33

▸	SMN1; SMN2	Q16637	1/20	0.33

▸	OPRD1	P41143	1/20	0.33

▸	OPRK1	P41145	1/20	0.33

▸	CD38	P28907	1/20	0.32

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
SCHEMBL10685652	0.94	SLC2A1 (0.42)	SLC2A1CD274MAPTPDCD1CYP1A2
SCHEMBL10630217	0.83	SLC2A1 (0.59)	SLC2A1CA2NQO2PTGS2CD274
SCHEMBL10349036	0.82	SLC2A1 (0.46)	SLC2A1PTGS2CD274CYP2D6KMT2A
SCHEMBL10488864	0.82	SLC2A1 (0.46)	SLC2A1CA2NQO2CD274MAPT
Hydrochloric Acid SCHEMBL10488204	0.81	SLC2A1 (0.45)	SLC2A1CA2NQO2CD274MAPT
SCHEMBL9537871	0.81	SLC2A1 (0.50)	SLC2A1CA2NQO2GUSBCD274
SCHEMBL9779113	0.81	SLC2A1 (0.48)	SLC2A1CA2MAPTCYP1A2CYP3A4
SCHEMBL10488878	0.80	SLC2A1 (0.46)	SLC2A1CD274CYP1A2MEN1KMT2A
SCHEMBL10488906	0.79	SLC2A1 (0.42)	SLC2A1CD274MAPTPDCD1MEN1
SCHEMBL10488350	0.79	SLC2A1 (0.45)	SLC2A1PTGS2CD274PDCD1CYP1A2

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-4803221-A	Anthracene derivatives	BURROUGHS WELLCOME CO. (US)	1989-02-07	—	—	US	disclosed
US-4719049-A	ANTITUMOR	BURROUGHS WELLCOME CO. (US)	1988-01-12	—	—	US	disclosed