SCHEMBL9258712

SCHEMBL9258712

CC(C)(C)[Si](OCc1ccc(-c2ccccc2)cc1Br)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
IDO1 P14902 2/20 0.31
AGXT P21549 1/20 0.31
ABL1 P00519 1/20 0.31
BACE1 P56817 1/20 0.31
ACLY P53396 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
SLC16A3 O15427 1/20 0.30
SLC16A1 P53985 1/20 0.30
MCTS1 Q9ULC4 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
SCHEMBL6132650 0.77 KDM5A (0.36) ALDH1A1
SCHEMBL30516569 0.77 KDM5A (0.36) ALDH1A1
SCHEMBL5672566 0.76 PYCR1 (0.35) IDO1ALDH1A1MAPK1
SCHEMBL9472699 0.76 IDO1 (0.37) IDO1AGXT
SCHEMBL7488069 0.75 CYP17A1 (0.46) IDO1AGXTSLC16A3
SCHEMBL6298659 0.75 PYCR1 (0.35) IDO1ALDH1A1MAPK1
SCHEMBL21543547 0.74 IDO1 (0.38) IDO1ALDH1A1SLC16A3SLC16A1MCTS1
SCHEMBL17159412 0.74 LMNA (0.37) ALDH1A1
SCHEMBL4821504 0.74 SMYD2 (0.33)
SCHEMBL9080536 0.73 SMYD2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659179-A4 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE. MERCK & CO INC (US) 1995-08-09 EP disclosed
EP-0659179-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-06-28 EP disclosed