SCHEMBL24146697

SCHEMBL24146697

N#Cc1ccc(CC/C(N)=C/N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.47
▸ IDO1 P14902 2/20 0.46
▸ KCNJ1 P48048 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ CYP2A6 P11509 1/20 0.42
▸ FFAR1 O14842 2/20 0.41
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NOS3 P29474 2/20 0.38
▸ NOS1 P29475 2/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ CA12 O43570 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ CA1 P00915 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 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
SCHEMBL5315290 0.78 FFAR1 (0.50) LOXL2IDO1KCNJ1KCNH2CYP2A6
SCHEMBL23031872 0.75 LOXL2 (0.43) LOXL2IDO1KCNH2CYP2A6CA12
SCHEMBL24147174 0.74 LOXL2 (0.45) LOXL2IDO1KCNJ1KCNH2CYP2A6
SCHEMBL1004267 0.73 LOXL2 (0.64) LOXL2IDO1KCNJ1KCNH2CYP2A6
SCHEMBL7338789 0.73 FFAR1 (0.53) LOXL2KCNJ1KCNH2CYP2A6FFAR1
SCHEMBL12500342 0.73 FFAR1 (0.49) LOXL2IDO1KCNJ1KCNH2CYP2A6
SCHEMBL13263434 0.72 FFAR1 (0.47) LOXL2IDO1KCNJ1KCNH2CYP2A6
SCHEMBL2339110 0.72 CYP2A6 (0.52) LOXL2IDO1KCNJ1KCNH2CYP2A6
SCHEMBL1337387 0.72 FFAR1 (0.69) FFAR1MMP12MMP13
SCHEMBL27309568 0.71 FFAR1 (0.48) LOXL2KCNJ1KCNH2CYP2A6FFAR1

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-2021263060-A2 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. (US) 2021-12-30 — — WO disclosed
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