SCHEMBL11869646

SCHEMBL11869646

CC1C(=O)N(c2ccccc2)N=C1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.67
LOXL3 P58215 1/20 0.67
LOXL4 Q96JB6 1/20 0.67
LOXL2 Q9Y4K0 1/20 0.67
ALDH1A1 P00352 6/20 0.54
GFER P55789 1/20 0.54
CES2 O00748 10/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL11861844 0.82 MAPT (0.49) LOXLOXL3LOXL4LOXL2ALDH1A1
SCHEMBL1086022 0.80 LOX (1.00) LOXLOXL3LOXL4LOXL2ALDH1A1
SCHEMBL11861507 0.79 LOX (0.43) LOXLOXL3LOXL4LOXL2CYP1A2
SCHEMBL8930590 0.77 CES2 (0.65) LOXLOXL3LOXL4LOXL2ALDH1A1
SCHEMBL6573304 0.77 LMNA (0.55) LOXLOXL3LOXL4LOXL2ALDH1A1
SCHEMBL17290688 0.76 LOX (0.63) LOXLOXL3LOXL4LOXL2ALDH1A1
SCHEMBL9381720 0.76 LOX (0.58) LOXLOXL3LOXL4LOXL2ALDH1A1
SCHEMBL371374 0.75 LOX (0.61) LOXLOXL3LOXL4LOXL2ALDH1A1
SCHEMBL17291113 0.74 LOX (0.56) LOXLOXL3LOXL4LOXL2ALDH1A1
SCHEMBL418870 0.72 HTT (0.50) LOXLOXL3LOXL4LOXL2ALDH1A1

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
US-4000156-A HYDROGENATION, METHYLATION WITH PARAFORMALDEHYDE AGFA-GEVAERT N.V. (BE) 1976-12-28 US disclosed