SCHEMBL28108366

SCHEMBL28108366

CC[CH]C(=O)Nc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.59
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ MAPT P10636 3/20 0.51
▸ MMP1 P03956 3/20 0.50
▸ MMP2 P08253 3/20 0.50
▸ MMP9 P14780 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ EGFR P00533 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ HTT P42858 2/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ RAB9A P51151 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ XBP1 P17861 1/20 0.46

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
SCHEMBL1416227 0.81 TGM2 (0.57) TGM2MEN1KMT2AMAPTMMP1
SCHEMBL28835697 0.79 TGM2 (0.65) TGM2MEN1KMT2AMAPTMMP1
SCHEMBL17152485 0.76 TGM2 (0.49) TGM2MEN1KMT2AMAPTMMP1
SCHEMBL29246294 0.76 TGM2 (0.61) TGM2MEN1KMT2AMAPTMMP1
SCHEMBL5645657 0.76 SMN1; SMN2 (0.68) TGM2MEN1KMT2AMAPTMMP1
SCHEMBL9301283 0.75 TGM2 (0.56) TGM2MEN1KMT2AMAPTMMP1
SCHEMBL4790863 0.75 ALDH1A1 (0.65) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL1383591 0.75 TGM2 (1.00) TGM2MEN1KMT2AMMP1MMP2
SCHEMBL13113092 0.74 TGM2 (0.59) TGM2MEN1KMT2AMAPTMMP1
Fluoride SCHEMBL27918634 0.73 ALDH1A1 (0.62) MEN1KMT2AMAPTALDH1A1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106132940-B New kallikrein 7 inhibitor 西可斯拉制药公司 2019-04-23 — — CN claimed
CN-106132940-A New kallikrein 7 inhibitor 西可斯拉制药公司 2016-11-16 — — CN claimed
CN-106132940-B New kallikrein 7 inhibitor 西可斯拉制药公司 2019-04-23 — — CN disclosed
CN-106132940-A New kallikrein 7 inhibitor 西可斯拉制药公司 2016-11-16 — — CN disclosed
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