SCHEMBL24916675

SCHEMBL24916675

CN/C=C(\N)COc1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PARP15 Q460N3 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.41
▸ PARP2 Q9UGN5 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MMP2 P08253 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ MMP3 P08254 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ABCB1 P08183 1/20 0.39

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
SCHEMBL24916671 0.78 GAA (0.40) GAAKMT2AKDM4EMAPTALDH1A1
SCHEMBL10971280 0.73 PARP15 (0.56) GAAKMT2AKDM4EMAPTALDH1A1
SCHEMBL10154344 0.72 KMT2A (0.60) GAAKMT2AKDM4EMAPTALDH1A1
SCHEMBL2163526 0.70 L3MBTL1 (0.57) GAAKMT2AKDM4EMAPTALDH1A1
SCHEMBL3372818 0.69 MAPT (0.62) GAAKMT2AKDM4EMAPTALDH1A1
SCHEMBL4770909 0.69 ALDH1A1 (0.53) GAAKMT2AKDM4EMAPTALDH1A1
SCHEMBL2835052 0.69 GAA (0.60) GAAKMT2AKDM4EMAPTALDH1A1
SCHEMBL17615977 0.68 MMP2 (0.51) KDM4EMAPTALDH1A1MMP2POLB
SCHEMBL14548246 0.68 MMP2 (0.51) KDM4EMAPTALDH1A1MMP2POLB
SCHEMBL8190496 0.68 ALDH1A1 (0.44) GAAKMT2AKDM4EMAPTALDH1A1

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-2023288033-A1 ASGPR CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES LYCIA THERAPEUTICS, INC. (US) 2023-01-19 — — WO disclosed
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