SCHEMBL7833952

SCHEMBL7833952

O=C(CCCO)Nc1ccc2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 1/20 0.49
KDM4E B2RXH2 4/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
F7 P08709 1/20 0.48
F3 P13726 1/20 0.48
PIN1 Q13526 1/20 0.48
PDPK1 O15530 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
APEX1 P27695 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MMP13 P45452 1/20 0.46
TBXAS1 P24557 1/20 0.44
SRD5A2 P31213 2/20 0.44
MAPT P10636 1/20 0.44
DAO P14920 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
SCHEMBL8196470 0.86 SMAD3 (0.57) SMAD3KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL6514580 0.85 MMP13 (0.53) SMAD3KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL5897605 0.85 SMAD3 (0.50) SMAD3KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL5896618 0.82 SMAD3 (0.53) SMAD3KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL6512022 0.82 MMP13 (0.55) SMAD3KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL1334212 0.80 PIN1 (0.47) SMAD3KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL8197851 0.80 SMAD3 (0.60) SMAD3KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL7470448 0.80 SMAD3 (0.60) SMAD3KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL5680634 0.79 ITGB3 (0.52) SMAD3KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL16418066 0.79 TNKS (0.53) SMAD3KDM4EHPGDHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1165303-C DNA-binding indole derivatives, prodrugs and immunoconjugates thereof as antitumor agents 全景研究有限公司 2004-09-08 CN disclosed
EP-0918752-A4 DNA-BINDING INDOLE DERIVATIVES, THEIR PRODRUGS AND IMMUNOCONJUGATES AS ANTICANCER AGENTS PANORAMA RES INC (US) 2001-11-21 EP disclosed
CN-1219841-A DNA-binding indole derivatives, their prodrugs and immunoconjugates as anticancer agents PANORAMA RES INC (US) 1999-06-16 CN 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