SCHEMBL7615365

SCHEMBL7615365

CC(C)(C)/N=C(/NC(C)(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
EPHX1 P07099 1/20 0.43
GAA P10253 3/20 0.39
EGFR P00533 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SIGMAR1 Q99720 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
SCHEMBL7615367 1.00 CYP2C9 (0.43) CYP2C9SMN1; SMN2EPHX1GAAEGFR
SCHEMBL3069253 0.86 GAA (0.48) CYP2C9SMN1; SMN2EPHX1GAAEGFR
SCHEMBL3069246 0.82 GAA (0.44) CYP2C9SMN1; SMN2GAAPOLBMAPT
SCHEMBL3069249 0.82 GAA (0.44) CYP2C9SMN1; SMN2GAAPOLBMAPT
SCHEMBL25575375 0.72 GAA (0.47) GAAPOLBMAPTALDH1A1L3MBTL1
SCHEMBL7644077 0.72 SMN1; SMN2 (0.50) CYP2C9SMN1; SMN2EPHX1GAAEGFR
SCHEMBL30762076 0.72 ALDH1A1 (0.41) CYP2C9SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL10298145 0.72 ALDH1A1 (0.41) CYP2C9SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL6351821 0.71 ALDH1A1 (0.37) CYP2C9SMN1; SMN2EPHX1POLBMAPT
SCHEMBL5686249 0.70 LMNA (0.47) SMN1; SMN2GAAPOLBMAPTKMT2A

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
US-6433130-B1 POLYMERIZATION CATALYST; STABILITY SEKISUI CHEMICAL CO., LTD. (JP) 2002-08-13 US claimed
US-6433130-B1 POLYMERIZATION CATALYST; STABILITY SEKISUI CHEMICAL CO., LTD. (JP) 2002-08-13 US disclosed