SCHEMBL8849581

SCHEMBL8849581

N#Cc1cccc(-c2ccccc2)c1B(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.49
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
PTPN5 P54829 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GALR3 O60755 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
BCL2L1 Q07817 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5784673 0.80 ENPP2 (0.43) ESR2ALDH1A1KDM4EPDK2TSHR
SCHEMBL2844082 0.80 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2BCL2L1HSD17B10
SCHEMBL910660 0.77 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2BCL2L1HSD17B10
Water SCHEMBL3178714 0.76 ESR2 (0.69) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL29662886 0.76 ESR2 (0.69) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL223 0.76 ESR2 (0.69) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL27895577 0.76 ESR2 (0.69) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL932550 0.76 ESR2 (0.58) ESR2GABRG2GABRB3GABRA5GABRA3
Methane SCHEMBL8312669 0.74 ESR2 (0.67) ESR2GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL6985442 0.74 ESR2 (0.67) ESR2GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110957430-B Organic light emitting device 株式会社LG化学 2022-07-08 CN disclosed
CN-110838555-B Organic light emitting device 株式会社LG化学 2022-03-08 CN disclosed
CN-107431141-B Organic light emitting device 株式会社LG化学 2020-04-28 CN disclosed
CN-110957430-A Organic light emitting device 株式会社LG化学 2020-04-03 CN disclosed
CN-110838555-A Organic light emitting device 株式会社LG化学 2020-02-25 CN disclosed
US-5618934-A Boronic acid compound MERCK & CO., INC. (US) 1997-04-08 US disclosed
WO-1995031461-A1 PREPARATION OF 2-ARYL CARBAPENEMS MERCK & CO., INC. (US) 1995-11-23 WO disclosed
US-5442056-A Preparation of 2-aryl carbapenems MERCK & CO., INC. (US) 1995-08-15 US disclosed