SCHEMBL9854837

SCHEMBL9854837

C=C(C#N)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA9 Q16790 3/20 0.39
CA2 P00918 2/20 0.39
ALDH1A1 P00352 4/20 0.38
FAAH O00519 1/20 0.38
PHGDH O43175 1/20 0.38
ALDH2 P05091 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
MGLL Q99685 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.37
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL9145349 0.77
SCHEMBL1473027 0.75 ALDH1A1 (0.36) CA12CA1CA9CA2ALDH1A1
SCHEMBL20267072 0.71 SMN1; SMN2 (0.48) CA12CA1CA9SMN1; SMN2MEN1
SCHEMBL5928898 0.71 CA12 (0.48) CA12CA1CA9CA2ALDH1A1
SCHEMBL11178030 0.70 GPR119 (0.48)
SCHEMBL14035555 0.69 PLA2G7 (0.40) CA12CA1CA9CA2ALDH1A1
SCHEMBL8274668 0.69
SCHEMBL11438277 0.68 LMNA (0.41) CA12CA1CA9CA2ALDH1A1
SCHEMBL13858317 0.68 SMN1; SMN2 (0.45) CA12CA1CA9ALDH1A1SMN1; SMN2
SCHEMBL28358592 0.68 SMN1; SMN2 (0.45) CA12CA1CA9CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101245199-B Coating composition and method of forming coating film KANSAI PAINT CO LTD 2010-11-24 CN disclosed
CN-100424144-C Coating composition and method for forming coating film KANSAI PAINT CO LTD (JP) 2008-10-08 CN disclosed
CN-101245199-A Coating composition and method of forming coating film KANSAI PAINT CO LTD (JP) 2008-08-20 CN disclosed
CN-1860195-A Coating composition and method for forming coating film KANSAI PAINT CO LTD (JP) 2006-11-08 CN disclosed
US-4981990-A FUNGICIDES CIBA-GEIGY CORPORATION (US) 1991-01-01 US disclosed
US-4812580-A FROM A PHENACYLAMINE AND ACRYLONITRILE DERIVATIVE, CYCLIZATION, FUNGICIDES CIBA-GEIGY CORPORATION (US) 1989-03-14 US disclosed
US-4709053-A FUNGICIDES CIBA-GEIGY CORPORATION (US) 1987-11-24 US disclosed