SCHEMBL29463256

SCHEMBL29463256

CC(C)C(=O)NCc1ccc(Cl)c(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGES O14684 13/20 0.59
ERCC1 P07992 1/20 0.57
ERCC4 Q92889 1/20 0.57
TSHR P16473 1/20 0.48
APEX1 P27695 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL14782824 1.00 PTGES (0.59) PTGESERCC1ERCC4TSHRAPEX1
SCHEMBL22060011 0.88 NR1H4 (0.59) PTGESERCC1ERCC4TSHRAPEX1
SCHEMBL14782792 0.86 PTGES (0.57) PTGESERCC1ERCC4TSHR
SCHEMBL18810338 0.85 PTGES (0.56) PTGESERCC1ERCC4TSHR
SCHEMBL8310378 0.84 TSHR (0.66) PTGESERCC1ERCC4TSHRALDH1A1
Hydrochloric Acid SCHEMBL20489719 0.83 PTGES (0.55) PTGESERCC1ERCC4TSHR
Hydrochloric Acid SCHEMBL29416936 0.83 PTGES (0.55) PTGESERCC1ERCC4TSHR
SCHEMBL20149739 0.83 KMT2A (0.56) TSHRAPEX1NR1H4ALDH1A1TP53
SCHEMBL14782706 0.83 HPGD (0.55) PTGESTSHRAPEX1NR1H4ALDH1A1
SCHEMBL14816996 0.83 ALDH1A1 (0.52) TSHRAPEX1NR1H4ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114302874-B Indole carboxamide derivatives and pharmaceutical compositions containing the same 国际药品株式会社 2025-02-25 CN disclosed
EP-4023638-A1 INDOLE CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Kukje Pharma Co., Ltd. (KR) 2022-07-06 EP disclosed
CN-114302874-A Indole carboxamide derivatives and pharmaceutical compositions comprising same 国际药品株式会社 2022-04-08 CN disclosed