SCHEMBL9001663

SCHEMBL9001663

CC(=O)Nc1cc(S(=O)(=O)O)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.57
KDM4E B2RXH2 2/20 0.53
POLB P06746 2/20 0.53
APOBEC3A P31941 1/20 0.53
GFER P55789 1/20 0.53
HDAC1 Q13547 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PHPT1 Q9NRX4 1/20 0.53
CA1 P00915 8/20 0.51
CA2 P00918 8/20 0.51
CA9 Q16790 8/20 0.51
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
CA12 O43570 4/20 0.48
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL13608495 0.88 NPC1 (0.56) KDM4EPOLBAPOBEC3AGFERHDAC1
SCHEMBL9463617 0.86 CA1 (0.69) CA1CA2CA9ALDH1A1CA12
SCHEMBL5726701 0.83 TDP1 (0.66) KDM4EPOLBAPOBEC3AGFERHDAC1
SCHEMBL11863660 0.83 CA1 (0.53) KDM4EPOLBAPOBEC3AGFERHDAC1
SCHEMBL8592935 0.83 CASP6 (0.61) CASP6KDM4EPOLBCA1CA2
SCHEMBL12555528 0.79 CASP6 (0.57) CASP6POLBLMNASMN1; SMN2CA1
SCHEMBL29575995 0.79 APEX1 (0.64) CASP6POLBCA1CA2CA9
SCHEMBL28417802 0.79 KMT2A (0.61) CASP6LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL20299286 0.79 CASP6 (0.74) CASP6KDM4ECA1CA2CA9
SCHEMBL29516436 0.79 APEX1 (0.64) CASP6POLBCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576997-B1 Method of preparing aminoformazanes BASF AG (DE) 1996-09-18 EP disclosed
US-5391719-A Alkaline hydrolysis of protected acylated derivative BASF AKTIENGESELLSCHAFT (DE) 1995-02-21 US disclosed
EP-0576997-A1 Method of preparing aminoformazanes BASF Aktiengesellschaft (DE) 1994-01-05 EP disclosed