SCHEMBL22343666

SCHEMBL22343666

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COc2ccc(CCC(=O)c3ccccc3C(=O)O)cc2)[C@@H](O)[C@H]1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNMT Q14749 2/20 0.56
ADORA1 P30542 3/20 0.56
TRPM2 O94759 2/20 0.56
NT5E P21589 1/20 0.55
METTL3 Q86U44 1/20 0.54
DNPH1 O43598 1/20 0.54
PRKAB2 O43741 1/20 0.54
LDHA P00338 1/20 0.54
ADRB2 P07550 1/20 0.54
FBP1 P09467 1/20 0.54
SRC P12931 1/20 0.54
P2RY2 P41231 1/20 0.54
P2RY1 P47900 1/20 0.54
PRKAG1 P54619 1/20 0.54
PRKAA2 P54646 1/20 0.54
PDE4D Q08499 1/20 0.54
KCNH2 Q12809 1/20 0.54
PRKAA1 Q13131 1/20 0.54
PDE3A Q14432 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL22343533 0.92 GNMT (0.57) GNMTADORA1TRPM2NT5EMETTL3
SCHEMBL22323629 0.92 GNMT (0.56) GNMTADORA1TRPM2NT5EDNPH1
SCHEMBL29702996 0.90 ADORA1 (0.54) GNMTADORA1TRPM2METTL3DNPH1
SCHEMBL22343675 0.90 ADH1A (0.53) GNMTADORA1TRPM2METTL3DNPH1
SCHEMBL29702967 0.88 ADORA1 (0.52) GNMTADORA1TRPM2METTL3
SCHEMBL22343548 0.88 ADORA1 (0.52) GNMTADORA1TRPM2METTL3
SCHEMBL22343764 0.88 ADORA1 (0.54) GNMTADORA1TRPM2NT5E
SCHEMBL1434032 0.84 ADORA1 (0.72) ADORA1TRPM2METTL3DNPH1PRKAB2
SCHEMBL6905464 0.84 ADORA1 (0.72) ADORA1TRPM2METTL3DNPH1PRKAB2
SCHEMBL7165632 0.83 ADORA1 (0.63) ADORA1TRPM2NT5EMETTL3DNPH1

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-2020163673-A1 INHIBITORS OF ADENYLATE-FORMING ENZYME MENE MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-08-13 WO disclosed