SCHEMBL27532002

SCHEMBL27532002

NCc1cccc(Cc2ccc(C(=O)O)cc2C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
KDM4E B2RXH2 1/20 0.44
FOLH1 Q04609 1/20 0.41
LOXL2 Q9Y4K0 3/20 0.41
PLA2G2A P14555 1/20 0.41
PTPN1 P18031 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN6 P29350 1/20 0.40
HNF4A P41235 1/20 0.39
PRKCI P41743 1/20 0.39
PLAU P00749 1/20 0.39
ENPP2 Q13822 1/20 0.39

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
SCHEMBL27624784 0.85 TSHR (0.53) TSHRKDM4EFOLH1PLA2G2APTPN1
SCHEMBL4521739 0.84 TSHR (0.72) TSHRKDM4EFOLH1PLA2G2APTPN1
SCHEMBL27595060 0.84 TSHR (0.54) TSHRKDM4EFOLH1PTPN1CA1
SCHEMBL27542160 0.82 TSHR (0.53) TSHRKDM4EFOLH1PTPN1PTPN2
SCHEMBL27869431 0.82 TSHR (0.53) TSHRKDM4E
Terephthalic Acid SCHEMBL9858389 0.81 LOXL2 (0.56) TSHRFOLH1LOXL2ENPP2
Cyclopropane SCHEMBL27582578 0.79 RXRA (0.49) TSHR
Isophthalic Acid SCHEMBL9858510 0.79 FOLH1 (0.58) FOLH1LOXL2CA1CA2CA9
SCHEMBL2818924 0.79 KDM4E (0.47) TSHRKDM4ELOXL2PTPN1CA1
SCHEMBL27994405 0.79 TSHR (0.55) TSHRKDM4EFOLH1PTPN1CA1

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
CN-106132939-A Process for producing tetrazolinone compound 住友化学株式会社 2016-11-16 CN disclosed
CN-1252069-C 2-aryl-naphthyridin-4-ones as antitumor agents UNIV NORTH CAROLINA CHAPEL HILL (US) 2006-04-19 CN disclosed