SCHEMBL21048591

SCHEMBL21048591

O=C1c2ccccc2C(=O)C1(O)c1cc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.46
DDO Q99489 1/20 0.46
KDR P35968 3/20 0.44
CHEK1 O14757 1/20 0.44
FLT3 P36888 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CA1 P00915 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.42
CA2 P00918 2/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
BACE1 P56817 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL28502034 0.75 KMT2A (0.53) DAODDOFLT3ALDH1A1TSHR
SCHEMBL3670209 0.72 DAO (0.45) DAODDOKDRCHEK1FLT3
SCHEMBL22731774 0.70 AOC3 (0.42) DAODDOKDRCHEK1FLT3
SCHEMBL8035854 0.70 DAO (0.42) DAODDOKDRCHEK1FLT3
SCHEMBL31135230 0.70 CFTR (0.50) KDRCHEK1ALDH1A1L3MBTL1TSHR
SCHEMBL2512235 0.70 CFTR (0.50) KDRCHEK1ALDH1A1L3MBTL1TSHR
SCHEMBL12948668 0.68 FLT3 (0.41) DAODDOFLT3ALDH1A1CA1
SCHEMBL3062818 0.68 FLT3 (0.44) DAODDOKDRFLT3ALDH1A1
SCHEMBL31513573 0.67 FLT3 (0.37) DAODDOFLT3ALDH1A1MAPK1
SCHEMBL1925655 0.65 PTGER3 (0.47) DAODDOKDRCHEK1FLT3

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
EP-3611158-B1 1,3-DI-OXO-INDENE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS AN ANTIVIRAL, ACTIVE INGREDIENT KOREA RES INST CHEMICAL TECH (KR) 2023-12-20 EP disclosed
EP-2722322-B1 1,3-DI-OXO-INDENE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS AN ANTIVIRAL, ACTIVE INGREDIENT KOREA RES INST CHEMICAL TECH (KR) 2019-06-12 EP disclosed