SCHEMBL20176625

SCHEMBL20176625

COC(=O)c1cncc(Oc2ccc(Br)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
P2RX3 P56373 6/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALPL P05186 1/20 0.43
GRM5 P41594 1/20 0.43

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
SCHEMBL2891300 0.85 ATM (0.51) ATMCYP11B1CYP11B2P2RX3SIRT2
SCHEMBL510630 0.85 ATM (0.54) ATMCYP11B1CYP11B2MEN1KMT2A
SCHEMBL16881291 0.85 P2RX3 (0.50) ATMCYP11B1CYP11B2P2RX3SIRT2
SCHEMBL16880686 0.84 ALDH1A1 (0.57) ATMCYP11B1CYP11B2MEN1KMT2A
SCHEMBL16880940 0.83 ATM (0.53) ATMCYP11B1CYP11B2P2RX3SIRT2
SCHEMBL10895053 0.83 USP2 (0.53) MEN1KMT2AALDH1A1MAPK1
SCHEMBL20176626 0.82 SIRT2 (0.65) CYP11B1CYP11B2KMT2ASIRT2SIRT1
SCHEMBL6132139 0.81 CA1 (0.62) ATMMEN1KMT2AALDH1A1MAPK1
SCHEMBL2885990 0.81 MAPT (0.56) ATMCYP11B1CYP11B2MEN1KMT2A
SCHEMBL13326244 0.79 ATM (0.62) ATMCYP11B1CYP11B2SIRT2SIRT1

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
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 WO disclosed