SCHEMBL10653083

SCHEMBL10653083

Cc1cc(C(=O)NC(C#N)c2ccco2)n(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
CTSL P07711 5/20 0.46
CTSV O60911 2/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 2/20 0.42
PHGDH O43175 3/20 0.39
KCNA3 P22001 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
F12 P00748 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CTSB P07858 1/20 0.36
USP2 O75604 1/20 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
SCHEMBL10652490 0.85 PHGDH (0.38) ALDH1A1GAASMN1; SMN2POLBCTSL
SCHEMBL10666410 0.82 ALDH1A1 (0.54) ALDH1A1GAASMN1; SMN2CTSLCTSV
SCHEMBL10653239 0.81 CTSL (0.43) ALDH1A1GAASMN1; SMN2POLBCTSL
SCHEMBL10654251 0.78 CTSL (0.45) ALDH1A1GAASMN1; SMN2POLBCTSL
SCHEMBL10665838 0.77 CTSV (0.46) ALDH1A1GAASMN1; SMN2CTSLCTSV
SCHEMBL10652368 0.76 CTSL (0.43) ALDH1A1GAASMN1; SMN2POLBCTSL
SCHEMBL9530946 0.75 MME (0.36) ALDH1A1SMN1; SMN2PHGDHL3MBTL1USP2
SCHEMBL10653073 0.74 ALDH1A1 (0.41) ALDH1A1USP2MEN1LMNAKMT2A
SCHEMBL10594514 0.74 SAE1 (0.36) ALDH1A1GAASMN1; SMN2POLBCYP1A2
SCHEMBL9793870 0.73 GRN (0.44) ALDH1A1SMN1; SMN2CTSLCTSVCTSS

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-0268892-A2 Substituted-amido derivatives, method for preparation of the same and phytopathogenic fungicides containing the same NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-06-01 EP claimed