SCHEMBL21043640

SCHEMBL21043640

O=C(O)OCc1cc2oc(=O)sc2cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 4/20 0.53
GAA P10253 3/20 0.43
MAOA P21397 6/20 0.42
MAOB P27338 6/20 0.42
MAPT P10636 6/20 0.42
ALPI P09923 2/20 0.42
ALPG P10696 2/20 0.42
CA2 P00918 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
HSPD1 P10809 1/20 0.37
HSPE1 P61604 1/20 0.37
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 3/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
ALOX12 P18054 4/20 0.33
ALOX15 P16050 3/20 0.33
HSD17B10 Q99714 3/20 0.33

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
SCHEMBL21043634 0.86 CUL4A (0.51) CUL4AGAAMAOAMAOBMAPT
SCHEMBL21043638 0.83 CUL4A (0.53) CUL4AGAAMAOAMAOBMAPT
SCHEMBL21043632 0.80 CUL4A (0.55) CUL4AGAAMAOAMAOBMAPT
SCHEMBL21043636 0.73 CUL4A (0.51) CUL4AGAAMAOAMAOBMAPT
SCHEMBL6002101 0.71 CUL4A (0.54) CUL4AGAAMAOAMAOBMAPT
SCHEMBL21043635 0.70 CUL4A (0.54) CUL4AGAAMAOAMAOBMAPT
SCHEMBL15570426 0.69 CUL4A (1.00) CUL4AGAAMAOAMAOBMAPT
SCHEMBL21043631 0.66 CUL4A (0.59) CUL4AGAAMAOAMAOBMAPT
SCHEMBL8035971 0.65 MAOA (0.57) CUL4AGAAMAOAMAOBMAPT
SCHEMBL28770096 0.64 PTGDR2 (0.39) HPGDKMT2AKDM4EALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2887940-B1 INHIBITORS OF CRL4 UBIQUITIN LIGASE AND USES THEREOF UNIV CORNELL (US) 2019-06-05 EP claimed