SCHEMBL8274451

SCHEMBL8274451

Nc1c(F)cccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 10/20 0.45
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ ADAM10 O14672 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ DPP8 Q6V1X1 2/20 0.36
▸ DPP9 Q86TI2 2/20 0.36
▸ DPP7 Q9UHL4 2/20 0.36
▸ CHRM4 P08173 2/20 0.35
▸ POLB P06746 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
SCHEMBL8275593 0.87 ADAM17 (0.43) ADAM17KMT2AMEN1NAMPTALDH1A1
SCHEMBL8221026 0.86 ADAM17 (0.51) ADAM17KMT2AMEN1NAMPTALDH1A1
SCHEMBL8273785 0.86 ADAM17 (0.51) ADAM17KMT2AMEN1NAMPTALDH1A1
SCHEMBL13544350 0.84 ADAM17 (0.47) ADAM17KMT2AMEN1NAMPTADAM10
SCHEMBL8276118 0.84 ADAM17 (0.43) ADAM17KMT2AMEN1NAMPTALDH1A1
SCHEMBL8275183 0.84 ADAM17 (0.43) ADAM17KMT2AMEN1NAMPTDPP8
SCHEMBL8274407 0.84 ADAM17 (0.43) ADAM17KMT2AMEN1NAMPTALDH1A1
SCHEMBL8273743 0.84 ADAM17 (0.46) ADAM17KMT2AMEN1NAMPTALDH1A1
SCHEMBL8274405 0.83 ADAM17 (0.43) ADAM17KMT2AMEN1NAMPTADAM10
SCHEMBL8276666 0.83 ADAM17 (0.43) ADAM17KMT2AMEN1NAMPTADAM10

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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