SCHEMBL10653239

SCHEMBL10653239

Cc1cc(C(=O)NC(C#N)c2ccoc2)n(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.43
CTSV O60911 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2C9 P11712 3/20 0.41
PHGDH O43175 7/20 0.39
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 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
SCHEMBL10657793 0.87 SMYD3 (0.45) CTSLCTSVCTSSCTSKALDH1A1
SCHEMBL10666410 0.83 ALDH1A1 (0.54) CTSLCTSVCTSSCTSKALDH1A1
SCHEMBL10653083 0.81 ALDH1A1 (0.47) CTSLCTSVCTSSCTSKALDH1A1
SCHEMBL10652368 0.80 CTSL (0.43) CTSLCTSVCTSSCTSKALDH1A1
SCHEMBL10654251 0.75 CTSL (0.45) CTSLCTSVCTSSCTSKALDH1A1
SCHEMBL8802116 0.74 RAB9A (0.42) CTSLCTSVCTSSCTSKALDH1A1
SCHEMBL8799758 0.70 CTSV (0.33) CTSLCTSVCTSSCTSKALDH1A1
SCHEMBL10664140 0.70 CTSL (0.44) CTSLCTSVCTSSCTSKALDH1A1
SCHEMBL10669276 0.70 CTSL (0.46) CTSLCTSVCTSSCTSKALDH1A1
SCHEMBL10652490 0.67 PHGDH (0.38) CTSLCTSVCTSSCTSKALDH1A1

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