SCHEMBL1087418

SCHEMBL1087418

O=C1CCC(=O)C(C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2)N1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ FKBP4 Q02790 1/20 0.43
▸ SSTR3 P32745 1/20 0.42
▸ FPR1 P21462 4/20 0.41
▸ FPR2 P25090 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ KDM1A O60341 2/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 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
SCHEMBL1088355 0.78 MEN1 (0.48) MEN1KMT2AFKBP4SSTR3FPR1
SCHEMBL31098846 0.77 FKBP4 (0.51) MEN1KMT2AFKBP4SSTR3FPR1
SCHEMBL2387136 0.75 SSTR3 (0.57) MEN1KMT2ASSTR3FPR1FPR2
SCHEMBL27355181 0.75 SSTR3 (0.57) MEN1KMT2ASSTR3FPR1FPR2
SCHEMBL9680449 0.74 FKBP4 (0.55) MEN1KMT2AFKBP4SSTR3FPR1
SCHEMBL5346452 0.74 MMP1 (0.49) MEN1KMT2AFKBP4SSTR3USP30
SCHEMBL14468394 0.74 MMP1 (0.49) MEN1KMT2AFKBP4SSTR3USP30
SCHEMBL10440798 0.73 SSTR3 (0.56) MEN1KMT2ASSTR3SMN1; SMN2TP53
SCHEMBL28183355 0.72 MEN1 (0.56) MEN1KMT2AFKBP4SSTR3SMN1; SMN2
SCHEMBL30117939 0.72 SSTR3 (0.61) SSTR3

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
US-8153413-B2 High alkaline protease and use thereof JAPAN AGENCY FOR MARINE-EARTH SCIENCE AND TECHNOLOGY (JP) 2012-04-10 — — US disclosed
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