SCHEMBL11037745

SCHEMBL11037745

CCOC(=O)c1[nH]cc(C#N)c1-c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
GAA P10253 3/20 0.44
GRM6 O15303 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
ALOX5 P09917 3/20 0.40
LRRK2 Q5S007 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
XBP1 P17861 1/20 0.38
CYP2C19 P33261 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL4375217 0.81 ALDH1A1 (0.49) L3MBTL1GAAALDH1A1HPGDKDM4E
SCHEMBL8289772 0.78 GRIA2 (0.46) L3MBTL1GAAALDH1A1HPGDKDM4E
SCHEMBL4375249 0.76 HTT (0.49) L3MBTL1ALDH1A1HPGDKDM4EMAPT
SCHEMBL24392515 0.75 ALDH1A1 (0.50) L3MBTL1GAAALDH1A1HPGDKDM4E
SCHEMBL4375542 0.73 IMPDH2 (0.47) L3MBTL1ALDH1A1LMNARAB9A
SCHEMBL17221655 0.72 KDM4E (0.48) L3MBTL1GAAALDH1A1HPGDKDM4E
SCHEMBL4373435 0.72 ALDH1A1 (0.41) L3MBTL1GRM6ALDH1A1HPGDKDM4E
SCHEMBL10569156 0.72 DYRK1A (0.34) PIM1L3MBTL1GAAALDH1A1HPGD
SCHEMBL7674774 0.72 ALDH1A1 (0.57) GAAALDH1A1HPGDKDM4EMAPT
SCHEMBL8289328 0.70 GRIA2 (0.51) PIM1L3MBTL1GAAGRM6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59212468-A None JP disclosed
JP-S59212468-A 3-PHENYL-4-CYANOPYRROLE DERIVATIVE AND PRODUCTION THEREOF NIPPON SODA CO LTD 1984-12-01 JP disclosed