SCHEMBL6150355

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-].C[n+]1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.53

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 20)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	2/20	0.47

▸	APOBEC3A	P31941	5/20	0.45

▸	APOBEC3G	Q9HC16	5/20	0.45

▸	CTDSP1	Q9GZU7	2/20	0.45

▸	KMT2A	Q03164	2/20	0.44

▸	HPGD	P15428	2/20	0.44

▸	LMNA	P02545	1/20	0.44

▸	CA1	P00915	2/20	0.42

▸	CA2	P00918	2/20	0.42

▸	CA12	O43570	1/20	0.42

▸	CA9	Q16790	1/20	0.42

▸	CA14	Q9ULX7	1/20	0.42

▸	USP2	O75604	1/20	0.42

▸	L3MBTL1	Q9Y468	3/20	0.41

▸	ATM	Q13315	1/20	0.41

▸	TDP1	Q9NUW8	1/20	0.41

▸	SRD5A2	P31213	1/20	0.41

▸	MAPK13	O15264	1/20	0.41

▸	MAPK12	P53778	1/20	0.41

▸	MAPK11	Q15759	1/20	0.41

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
SCHEMBL5694419	0.97	ALDH1A1 (0.50)	ALDH1A1APOBEC3AAPOBEC3GCTDSP1KMT2A
SCHEMBL5164430	0.86	ALDH1A1 (0.64)	ALDH1A1APOBEC3AAPOBEC3GCTDSP1KMT2A
Benzophenone SCHEMBL28662703	0.82	ALDH1A1 (0.64)	ALDH1A1KMT2AHPGDLMNACA1
Benzophenone SCHEMBL27919557	0.82	ALDH1A1 (0.70)	ALDH1A1KMT2AHPGDLMNACA1
SCHEMBL7050135	0.81	RECQL (0.47)	ALDH1A1LMNACA1CA2CA12
SCHEMBL6553185	0.77	USP2 (0.40)	ALDH1A1APOBEC3AAPOBEC3GCTDSP1KMT2A
SCHEMBL15423843	0.75	RAB9A (0.60)	ALDH1A1CTDSP1KMT2AHPGDLMNA
SCHEMBL7050139	0.75	MEN1 (0.40)	ALDH1A1APOBEC3AAPOBEC3GKMT2ALMNA
Benzophenone SCHEMBL6936257	0.73	ALDH1A1 (0.78)	ALDH1A1KMT2AHPGDLMNACA1
Sulfuric Acid SCHEMBL140509	0.73	USP2 (0.40)	ALDH1A1APOBEC3AAPOBEC3GCTDSP1KMT2A

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
EP-1575539-A1	DYE TABLETS	Henkel Kommanditgesellschaft auf Aktien (DE)	2005-09-21	—	—	EP	disclosed
WO-2004058202-A1	DYE TABLETS	HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE)	2004-07-15	—	—	WO	disclosed