SCHEMBL2844651

SCHEMBL2844651

CN1CCC(C(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL13381741 0.85 MMP2 (0.42) MEN1KMT2ALMNAHTTMAPT
SCHEMBL2837650 0.84 TP53 (0.57) TP53LMNAMAPT
SCHEMBL2841104 0.81 TP53 (0.47) KMT2ATP53LMNA
SCHEMBL2846313 0.79 ADRB3 (0.47) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL2840117 0.79 TP53 (0.48) TP53LMNAALDH1A1
SCHEMBL2841776 0.79 LMNA (0.52) TP53LMNAHTTALDH1A1
SCHEMBL2838360 0.78 TP53 (0.47) TP53LMNAALDH1A1
SCHEMBL2840994 0.78 TP53 (0.58) MEN1KMT2ATP53LMNAALDH1A1
SCHEMBL2847041 0.77 TP53 (0.55) TP53LMNAMAPT
SCHEMBL2841679 0.77 ALDH1A1 (0.56) TP53LMNAALDH1A1

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
WO-2010039911-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 — — WO claimed
WO-2010039911-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 — — WO disclosed
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