SCHEMBL18705352

SCHEMBL18705352

C=C1OC(O)c2cc(Br)ccc21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.33
S100A4 P26447 1/20 0.32
PGR P06401 1/20 0.32
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
PDK2 Q15119 1/20 0.30
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL2532868 0.78 S100A4 (0.41) S100A4BCL2MCL1CA1CA2
SCHEMBL18705382 0.78 S100A4 (0.41) S100A4BCL2MCL1CA1CA2
SCHEMBL21781053 0.74 KDM4E (0.39) PGRMAPK1PDK2EDNRBEDNRA
SCHEMBL18705354 0.72 MAOA (0.35) AR
SCHEMBL2484201 0.69 S100A4 (0.41) S100A4PGRBCL2MCL1CA1
SCHEMBL2484202 0.69 S100A4 (0.41) S100A4PGRBCL2MCL1CA1
SCHEMBL2484200 0.69 S100A4 (0.41) S100A4PGRBCL2MCL1CA1
SCHEMBL29485719 0.69 DYRK1A (0.56) S100A4PGRBCL2MCL1CA1
SCHEMBL1569377 0.69 DYRK1A (0.56) S100A4PGRBCL2MCL1CA1
SCHEMBL14146218 0.67 CYP1A2 (0.46) S100A4BCL2MCL1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024112119-A1 DEGRADER FOR DECOMPOSING CMET PROTEIN, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 이노큐어테라퓨틱스 2024-05-30 WO disclosed
WO-2024112122-A1 DEGRADER FOR DEGRADING BRD PROTEIN AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 주식회사 이노큐어테라퓨틱스 2024-05-30 WO disclosed
US-20170096560-A1 METHODS FOR SYNTHESIZING RHODAMINE DYES JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2017-04-06 US disclosed