SCHEMBL9687220

SCHEMBL9687220

CCOC(=O)C1NCCc2c1[nH]c1cc(Br)ccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.50
MAPKAPK5 Q8IW41 1/20 0.46
MAPT P10636 3/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 2/20 0.45
PSMD14 O00487 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
SIRT1 Q96EB6 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL9686019 0.85 MAPKAPK2 (0.55) MAPKAPK2MAPKAPK5HTR2AHTR2C
SCHEMBL273473 0.84 MAPKAPK2 (0.67) MAPKAPK2MAPKAPK5KMT2AKDM4EALDH1A1
SCHEMBL10481507 0.84 MAPKAPK2 (0.67) MAPKAPK2MAPKAPK5KMT2AKDM4EALDH1A1
SCHEMBL3476628 0.82 MAPKAPK2 (0.67) MAPKAPK2MAPKAPK5SIRT1HTR2AHTR2C
SCHEMBL29547973 0.82 MAPKAPK2 (0.67) MAPKAPK2MAPKAPK5SIRT1HTR2AHTR2C
SCHEMBL23070186 0.80 MAPKAPK2 (0.69) MAPKAPK2MAPKAPK5MAPTKMT2AKDM4E
SCHEMBL30923475 0.80 MAPKAPK2 (0.69) MAPKAPK2MAPKAPK5KMT2AHTR2AHTR2C
SCHEMBL28652272 0.80 MAPKAPK2 (0.69) MAPKAPK2MAPKAPK5KMT2AHTR2AHTR2C
SCHEMBL15995438 0.73 SIRT1 (0.47) MAPTKMT2AGAAKDM4EMEN1
SCHEMBL2563570 0.73 MAPT (0.66) MAPTKMT2AGAAKDM4EMEN1

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
EP-0273321-B1 7-BROMO-BETA-CARBOLINE COMPOUND AND METHOD FOR PRODUCING SAME Kawaken Fine Chemicals Co., Ltd. (JP) 1992-04-22 EP claimed
US-4894457-A BROMINATION, HYDROLYSIS KAWAKEN FINE CHEMICALS CO., LTD. (JP) 1990-01-16 US claimed
EP-0273321-A1 7-Bromo-beta-carboline compound and method for producing same Kawaken Fine Chemicals Co., Ltd. (JP) 1988-07-06 EP claimed
EP-0273321-B1 7-BROMO-BETA-CARBOLINE COMPOUND AND METHOD FOR PRODUCING SAME Kawaken Fine Chemicals Co., Ltd. (JP) 1992-04-22 EP disclosed
US-4894457-A BROMINATION, HYDROLYSIS KAWAKEN FINE CHEMICALS CO., LTD. (JP) 1990-01-16 US disclosed
EP-0273321-A1 7-Bromo-beta-carboline compound and method for producing same Kawaken Fine Chemicals Co., Ltd. (JP) 1988-07-06 EP disclosed