SCHEMBL21698459

SCHEMBL21698459

CC1CN(C(=O)Nc2ccc(N(C)C)cc2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ TP53 P04637 2/20 0.62
▸ ESR2 Q92731 2/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ GAA P10253 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.60
▸ NAMPT P43490 3/20 0.54
▸ CNR2 P34972 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ EPHX1 P07099 1/20 0.48
▸ SHMT2 P34897 1/20 0.47
▸ KIT P10721 1/20 0.46
▸ MAPT P10636 4/20 0.45
▸ NOX1 Q9Y5S8 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ NR4A1 P22736 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ EPHX2 P34913 1/20 0.45

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
SCHEMBL13450335 0.85 MEN1 (0.68) KMT2ASMN1; SMN2TP53ESR2MEN1
SCHEMBL312513 0.81 SMN1; SMN2 (0.75) KMT2ASMN1; SMN2TP53ESR2MEN1
SCHEMBL4560026 0.81 KMT2A (0.75) KMT2ASMN1; SMN2TP53ESR2MEN1
SCHEMBL28175243 0.73 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2TP53ESR2MEN1
SCHEMBL14413761 0.73 EPHX2 (0.62) KMT2ASMN1; SMN2TP53ESR2MEN1
SCHEMBL1574694 0.72 RAB9A (0.58) SMN1; SMN2TP53KDM4ENAMPTALDH1A1
SCHEMBL14413645 0.72 KDM4E (0.68) KMT2ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL29663991 0.72 RAB9A (0.76) KMT2ASMN1; SMN2TP53ESR2MEN1
SCHEMBL21568088 0.72 MAPT (0.71) KMT2ASMN1; SMN2TP53ESR2MEN1
SCHEMBL24381790 0.71 KDM4E (0.67) KMT2ASMN1; SMN2TP53ESR2MEN1

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
EP-2970340-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2020-02-12 — — EP disclosed
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