SCHEMBL23451246

SCHEMBL23451246

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.39
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL24097054 0.79 ATM (0.44) ATMLMNAMAPK1HTTL3MBTL1
SCHEMBL18868913 0.69 CES2 (0.37) ATMLMNAMAPK1HTTL3MBTL1
SCHEMBL15216219 0.68 ATM (0.35) ATMLMNAL3MBTL1HSD17B10SMN1; SMN2
SCHEMBL20999159 0.68 AKT1 (0.36) ATMLMNAL3MBTL1HSD17B10SMN1; SMN2
SCHEMBL2490467 0.68 KDM1A (0.42) ATMMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL1193963 0.68 KDM1A (0.42) ATMMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL5028746 0.68 KDM1A (0.42) ATMMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL20077791 0.67 DEGS1 (0.41) ATMLMNAMAPK1HTTL3MBTL1
SCHEMBL18929539 0.67 ATM (0.34) ATMSMN1; SMN2POLB
SCHEMBL20470769 0.66 AKT1 (0.46) ATMLMNAMAPK1HTTL3MBTL1

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
EP-3828179-A1 CYANOPYRROLIDINES AS DUB MODULATORS Mission Therapeutics Limited (GB) 2021-06-02 — — EP disclosed
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