SCHEMBL8275194

SCHEMBL8275194

Nc1ccc(N2CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N3Cc4ccccc4C3)CC2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 6/20 0.42
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CHRM2 P08172 2/20 0.37
▸ NAMPT P43490 4/20 0.37
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL8213653 0.87 CHRM4 (0.49) ADAM17POLBCHRM2
SCHEMBL8275183 0.85 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTSCN5A
SCHEMBL8275593 0.84 ADAM17 (0.43) ADAM17POLBMEN1KMT2ANAMPT
SCHEMBL8276118 0.84 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTSCN5A
SCHEMBL8274407 0.84 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTSCN5A
SCHEMBL8274451 0.83 ADAM17 (0.45) ADAM17POLBMEN1KMT2ANAMPT
SCHEMBL8221265 0.79 ADAM17 (0.49) ADAM17MEN1KMT2ANAMPT
SCHEMBL8275600 0.79 ADAM17 (0.45) ADAM17MEN1KMT2ANAMPT
SCHEMBL14494381 0.79 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTSCN5A
SCHEMBL8274403 0.79 GRIN2D (0.43) ADAM17MEN1KMT2ANAMPT

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-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — WO disclosed
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