SCHEMBL17077645

SCHEMBL17077645

CC(=O)Oc1ccc(CN)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 4/20 0.35
CYP2D6 P10635 4/20 0.35
CYP2A6 P11509 4/20 0.35
CYP2B6 P20813 4/20 0.35
CYP2C19 P33261 4/20 0.35
CYP2C9 P11712 3/20 0.35
CYP3A4 P08684 2/20 0.35
FLT3 P36888 1/20 0.35
POLB P06746 4/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33

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
SCHEMBL27858874 0.83 ALDH1A1 (0.41) CYP2D6CYP3A4POLBMAPTALDH1A1
SCHEMBL27472113 0.81 ALDH1A1 (0.35) CYP3A4FLT3POLBMAPTALDH1A1
SCHEMBL28023102 0.79 ALDH1A1 (0.33) CYP2C19FLT3POLBMAPTALDH1A1
SCHEMBL27373829 0.77 PTGS2 (0.38) POLBMAPTALDH1A1HSD17B10MEN1
SCHEMBL28057100 0.77 ALDH1A1 (0.40) POLBMAPTALDH1A1HSD17B10MEN1
SCHEMBL28016208 0.75 LMNA (0.38) CYP3A4FLT3POLBMAPTALDH1A1
SCHEMBL21954490 0.74
SCHEMBL21662447 0.74 ELANE (0.45) POLBMAPTALDH1A1HSD17B10MEN1
SCHEMBL27669493 0.74 NQO2 (0.42) CYP2D6CYP2C19CYP2C9CYP3A4MAPT
SCHEMBL6754107 0.72 LMNA (0.43) FLT3POLBMAPTALDH1A1HSD17B10

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
WO-2015137914-A1 METHODS FOR PRODUCING NYLON 7 EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2015-09-17 WO claimed