SCHEMBL16356993

SCHEMBL16356993

N#Cc1cccc(CI)c1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 10/20 0.49
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NAMPT P43490 3/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ TAS1R2 Q8TE23 1/20 0.35
▸ LDHA P00338 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.33
▸ CHRM4 P08173 1/20 0.33

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
SCHEMBL8221255 0.88 ADAM17 (0.55) ADAM17MEN1KMT2ANAMPTTAS1R3
SCHEMBL8221408 0.88 ADAM17 (0.51) ADAM17MEN1KMT2ANAMPTTAS1R3
SCHEMBL8274846 0.86 ADAM17 (0.61) ADAM17MEN1KMT2ANAMPTTAS1R3
SCHEMBL8273353 0.86 ADAM17 (0.61) ADAM17MEN1KMT2ANAMPTTAS1R3
SCHEMBL8213991 0.82 ADAM17 (0.55) ADAM17MEN1KMT2ANAMPTTAS1R3
SCHEMBL8221019 0.81 LDHA (0.51) ADAM17MEN1KMT2ALDHAKDM4E
SCHEMBL8222661 0.79 ADAM17 (0.53) ADAM17MEN1KMT2ACHRM4
SCHEMBL8213656 0.79 ADAM17 (0.54) ADAM17MEN1KMT2ANAMPTCHRM4
SCHEMBL8213653 0.79 CHRM4 (0.49) ADAM17CHRM4
SCHEMBL8276637 0.78 ADAM17 (0.53) ADAM17NAMPTTAS1R3TAS1R1TAS1R2

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-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 — — WO disclosed
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