SCHEMBL7349013

SCHEMBL7349013

COC(=O)C1=Cc2cc3c(cc2S(=O)(=O)N1C)OCCO3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 4/20 0.54
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 5/20 0.35
TSHR P16473 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 3/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.33
RXFP1 Q9HBX9 2/20 0.33
HPGD P15428 1/20 0.33
MAPK10 P53779 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL668237 0.64 KDM4E (0.62) ALDH1A1KDM4ESMN1; SMN2TSHRMAPT
SCHEMBL29882235 0.60 KDM4E (0.69) ALDH1A1KDM4ESMN1; SMN2TSHRMAPT
SCHEMBL3732675 0.59 CYP2C9 (0.54) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL31082315 0.59 KDM4E (1.00) ALDH1A1KDM4ESMN1; SMN2TSHRMAPT
SCHEMBL666309 0.59 KDM4E (1.00) ALDH1A1KDM4ESMN1; SMN2TSHRMAPT
SCHEMBL1279441 0.59 KDM4E (0.66) ALDH1A1KDM4ESMN1; SMN2TSHRMAPT
SCHEMBL8498085 0.59 CAPN1 (0.62) CAPN1
SCHEMBL20486063 0.58 MAPT (0.44) MAPTMEN1KMT2ATP53POLB
SCHEMBL5917985 0.58 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL9086905 0.58 EGFR (0.41) ALDH1A1KDM4ETSHRMAPTMEN1

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-0938477-A4 BENZOTHIAZO AND RELATED HETEROCYCLIC GROUP-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON INC (US) 1999-12-29 EP disclosed
US-5952328-A MAY BE USED TO ALLEVIATE, MEDIATE, REDUCE AND/OR PREVENT DISORDERS WHICH ARE ASSOCIATED WITH ABNORMAL AND/OR ABERRANT ACTIVITY OF CYSTEINE PROTEASES AND/OR SERINE PROTEASES CEPHALON, INC. (US) 1999-09-14 US disclosed
EP-0938477-A1 BENZOTHIAZO AND RELATED HETEROCYCLIC GROUP-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON, INC. (US) 1999-09-01 EP disclosed
WO-1998021186-A1 BENZOTHIAZO AND RELATED HETEROCYCLIC GROUP-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON, INC. (US) 1998-05-22 WO disclosed