SCHEMBL8774913

SCHEMBL8774913

Nc1ccc(NC(=O)CCCS(=O)(=O)CCCl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CA9 Q16790 5/20 0.46
CA12 O43570 4/20 0.46
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL8774906 0.86 MEN1 (0.47) MEN1KMT2ACA1CA2CA9
SCHEMBL10480112 0.84 HDAC6 (0.61) MEN1KMT2AALDH1A1POLBHDAC1
SCHEMBL28412042 0.82 MEN1 (0.54) MEN1KMT2AALDH1A1POLBHDAC1
SCHEMBL9171096 0.81 CTDSP1 (0.41) MEN1KMT2ACA1CA2CA9
SCHEMBL9174682 0.81 CASP3 (0.40) MEN1KMT2ACA1CA2CA9
SCHEMBL11417562 0.80 MAPT (0.55) MEN1KMT2ACA1CA2CA9
SCHEMBL18660182 0.79 MEN1 (0.62) MEN1KMT2AHDAC1HDAC2HDAC6
SCHEMBL20612655 0.79 MEN1 (0.37) MEN1KMT2ACA1CA2CA9
SCHEMBL18660183 0.78 HDAC1 (0.63) MEN1KMT2AHDAC1HDAC2HDAC6
SCHEMBL31473065 0.78 HDAC1 (0.63) MEN1KMT2AHDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574799-B1 Method for the preparation of fibre-reactive formazana dyes as well as aminophenols BASF AG (DE) 1997-09-17 EP disclosed
US-5536876-A Formylamino-aminophenol compounds and their use in preparation of fiber-reactive formazan dyes BASF AKTIENGESELLSCHAFT (DE) 1996-07-16 US disclosed
US-5410027-A Diazotization of a protectively formylated hydroxyphenylenediamine; coupling with a hydrazone compound; metallization; reacting with a halotriazine BASF AKTIENGESELLSCHAFT (DE) 1995-04-25 US disclosed
EP-0574799-A2 Method for the preparation of fibre-reactive formazana dyes as well as aminophenols BASF Aktiengesellschaft (DE) 1993-12-22 EP disclosed