SCHEMBL22053505

SCHEMBL22053505

BN(c1ccc(C(C)(C)C)cc1)c1cccc2c1oc1ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALOX5 P09917 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ PRSS1 P07477 1/20 0.32

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
SCHEMBL21020435 0.85 MEN1 (0.36) MEN1KMT2ACYP2C19ALOX5LMNA
SCHEMBL25068559 0.84 ALOX5 (0.36) ALOX5LMNANR1I2ADRA2ACYP2D6
SCHEMBL22059188 0.84 ALOX5 (0.39) MEN1KMT2ACYP2C19ALOX5LMNA
SCHEMBL20649813 0.84 MEN1 (0.35) MEN1KMT2ACYP2C19ALOX5LMNA
SCHEMBL23676613 0.84 ALOX5 (0.36) MEN1KMT2ACYP2C19ALOX5LMNA
SCHEMBL24206311 0.84 MEN1 (0.35) MEN1KMT2ACYP2C19ALOX5LMNA
SCHEMBL15746008 0.84 MEN1 (0.35) MEN1KMT2ACYP2C19ALOX5LMNA
SCHEMBL14295583 0.83 ALOX5 (0.37) MEN1KMT2ACYP2C19ALOX5CYP2D6
SCHEMBL25061137 0.81 TNKS (0.40) MEN1KMT2ACYP2C19ALOX5LMNA
SCHEMBL25061152 0.81 ALOX5 (0.43) MEN1KMT2ACYP2C19ALOX5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230059210-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
US-20230058635-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
WO-2020108899-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-06-04 — — WO disclosed
WO-2020109269-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-06-04 — — WO disclosed
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