SCHEMBL7052371

SCHEMBL7052371

[CH2]Oc1nc(C)ccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GPR119 Q8TDV5 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC1 Q13547 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
NOS2 P35228 1/20 0.35
POLB P06746 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3967035 0.82 KDM4E (0.56) HRH4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1145111 0.78 LMNA (0.48) HRH4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL10371014 0.78 L3MBTL1 (0.55) HRH4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL22917964 0.77 L3MBTL1 (0.41) HRH4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL21222984 0.77 MBOAT4 (0.46) HRH4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30242158 0.77 MBOAT4 (0.46) HRH4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL15831950 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AGPR119
SCHEMBL15831920 0.75 L3MBTL1 (0.43) HRH4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL15831917 0.74 MAP3K7 (0.46) MEN1KMT2AL3MBTL1HDAC1SMN1; SMN2
SCHEMBL15831912 0.74 GAA (0.42) ALDH1A1KDM4EMEN1KMT2AL3MBTL1

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-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed