SCHEMBL4764600

SCHEMBL4764600

Cc1ccc2c(S(=O)(=O)O)cc(Cl)c(O)c2n1.Cc1ccc2c(S(=O)(=O)O)ccc(O)c2n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
OPRK1 P41145 1/20 0.46
KMT2A Q03164 1/20 0.46
COMT P21964 5/20 0.44
CTSB P07858 1/20 0.42
CTSH P09668 1/20 0.42
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
PKM P14618 1/20 0.35
TNNI3 P19429 1/20 0.34
TNNT2 P45379 1/20 0.34
TNNC1 P63316 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL1076730 0.92 MAPT (0.65) MAPTOPRK1KMT2ACOMTCTSB
SCHEMBL1029385 0.87 KMT2A (0.59) MAPTOPRK1KMT2ACOMTCTSB
SCHEMBL7944048 0.83 MAPT (0.67) MAPTOPRK1KMT2ACOMTKDM4E
SCHEMBL4764607 0.82 KDM4E (0.41) MAPTOPRK1KMT2ACOMTCTSB
SCHEMBL11316137 0.77 COMT (0.76) OPRK1KMT2ACOMTKDM4EHTT
SCHEMBL27638396 0.77 OPRK1 (0.57) MAPTOPRK1KMT2ACOMTCTSB
SCHEMBL7690466 0.74 MAPT (0.67) MAPTOPRK1KMT2ACOMTKDM4E
SCHEMBL7687038 0.73 MAPT (0.65) MAPTOPRK1KMT2ACOMTKDM4E
Chlorquinaldol SCHEMBL29641617 0.73 MAPT (1.00) MAPTOPRK1KMT2AKDM4EHTT
Chlorquinaldol SCHEMBL29607534 0.73 MAPT (1.00) MAPTOPRK1KMT2AKDM4EHTT

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904482-A2 INDOLYLMALEIMIDE DERIVATIVES Novartis AG (CH) 2008-04-02 EP disclosed
WO-2007006533-A2 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2007-01-18 WO disclosed