SCHEMBL8275874

SCHEMBL8275874

Cc1ccc(N2CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N3Cc4ccccc4C3)CC2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 7/20 0.43
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NAMPT P43490 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CHRM4 P08173 1/20 0.35
▸ DPP8 Q6V1X1 2/20 0.35
▸ DPP9 Q86TI2 2/20 0.35
▸ DPP7 Q9UHL4 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
SCHEMBL8222034 0.89 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTCHRM4
SCHEMBL8273743 0.85 ADAM17 (0.46) ADAM17MEN1KMT2ANAMPTALDH1A1
SCHEMBL13544350 0.82 ADAM17 (0.47) ADAM17MEN1KMT2ANAMPT
SCHEMBL14494381 0.81 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTCHRM4
SCHEMBL8273765 0.81 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTCHRM4
SCHEMBL8217012 0.80 HTR1A (0.47) ADAM17MEN1KMT2ANAMPTALDH1A1
SCHEMBL8220831 0.80 ADAM17 (0.46) ADAM17MEN1KMT2ANAMPTKDM4E
SCHEMBL8221017 0.80 ADAM17 (0.42) ADAM17MEN1KMT2ANAMPTALDH1A1
SCHEMBL8276118 0.80 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTALDH1A1
SCHEMBL8274407 0.80 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTALDH1A1

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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