SCHEMBL9750100

SCHEMBL9750100

Cc1cc(N)ccc1/N=N/c1ccc(S(=O)(=O)CCO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATIC P31939 1/20 0.47
SUMO2 P61956 1/20 0.47
SUMO1 P63165 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP2 Q9HC62 1/20 0.47
PTGS2 P35354 2/20 0.47
PTGS1 P23219 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
CA2 P00918 6/20 0.44
ENPP2 Q13822 2/20 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
SCHEMBL9750104 1.00 ATIC (0.47) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL1937885 0.85 SENP2 (0.47) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL1937887 0.85 SENP2 (0.47) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL9750165 0.83 CA2 (0.58) PTGS2PTGS1MEN1KMT2ANPC1
SCHEMBL9750160 0.83 CA2 (0.58) PTGS2PTGS1MEN1KMT2ANPC1
SCHEMBL6123725 0.82 ATIC (0.58) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL14371950 0.82 NPC1 (0.52) PTGS2PTGS1MEN1KMT2AKDM4E
SCHEMBL5353001 0.81 MAPT (0.54) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL29189086 0.81 PTGS2 (0.68) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL5352995 0.81 MAPT (0.54) ATICSUMO2SUMO1SENP7SENP2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5093484-A Water soluble; colorfast shades on cotton BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed