SCHEMBL7833259

SCHEMBL7833259

CC(=O)Nc1ccc2[nH]c(CO)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.58
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
MTNR1A P48039 4/20 0.49
MTNR1B P49286 4/20 0.49
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 2/20 0.49
VCP P55072 3/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
PSMB8 P28062 2/20 0.48
ALDH1A1 P00352 1/20 0.47
ESR1 P03372 1/20 0.47
HPGD P15428 1/20 0.47
ERCC1 P07992 1/20 0.45
DNASE1 P24855 1/20 0.45
FEN1 P39748 1/20 0.45
ERCC4 Q92889 1/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL20195059 0.80 MMP13 (0.53) MMP13ROCK2ROCK1MTNR1AMTNR1B
SCHEMBL6989981 0.80 MMP13 (0.50) MMP13ROCK2ROCK1KDM4EKMT2A
SCHEMBL6015700 0.80 MAOB (0.67) MMP13ROCK2ROCK1MTNR1AMTNR1B
SCHEMBL3027767 0.77 MMP13 (0.67) MMP13ROCK2ROCK1MTNR1AMTNR1B
SCHEMBL28028735 0.77 MMP13 (0.66) MMP13ROCK2ROCK1MTNR1AMTNR1B
SCHEMBL24076595 0.76 MMP13 (0.54) MMP13ROCK2ROCK1MTNR1AMTNR1B
SCHEMBL7830338 0.76 MMP13 (0.54) MMP13ROCK2ROCK1MTNR1AMTNR1B
SCHEMBL4002751 0.74 TRPV1 (0.55) KDM4EKMT2AMAOBHPGDMAPT
SCHEMBL4002754 0.74 TRPV1 (0.55) KDM4EKMT2AMAOBHPGDMAPT
SCHEMBL15060321 0.74 NAMPT (0.59) MMP13ROCK2ROCK1MTNR1AMTNR1B

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-0918752-A4 DNA-BINDING INDOLE DERIVATIVES, THEIR PRODRUGS AND IMMUNOCONJUGATES AS ANTICANCER AGENTS PANORAMA RES INC (US) 2001-11-21 EP disclosed
EP-0918752-A2 DNA-BINDING INDOLE DERIVATIVES, THEIR PRODRUGS AND IMMUNOCONJUGATES AS ANTICANCER AGENTS PANORAMA RESEARCH, INC. (US) 1999-06-02 EP disclosed
US-5843937-A DNA-binding indole derivatives, their prodrugs and immunoconjugates as anticancer agents PANORAMA RESEARCH, INC. (US) 1998-12-01 US disclosed
WO-1997044000-A2 DNA-BINDING INDOLE DERIVATIVES, THEIR PRODRUGS AND IMMUNOCONJUGATES AS ANTICANCER AGENTS PANORAMA RESEARCH, INC. (US) 1997-11-27 WO disclosed