SCHEMBL24287526

SCHEMBL24287526

[O-][S+](Nc1nc2ccccc2nc1O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ GAA P10253 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PIM1 P11309 3/20 0.35
▸ ALOX15 P16050 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ RUNX1 Q01196 1/20 0.33
▸ CBFB Q13951 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAOB P27338 1/20 0.33

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
SCHEMBL24287510 0.71 ALDH1A1 (0.39) ALDH1A1KMT2ANPSR1LMNAMEN1
SCHEMBL24287774 0.68 P2RY1 (0.40) MAPT
SCHEMBL11038905 0.66 MAPT (0.62) MAPTALDH1A1GAAKMT2ANPSR1
SCHEMBL382385 0.66 MAPT (0.62) MAPTALDH1A1GAAKMT2ANPSR1
SCHEMBL29450004 0.66 MAPT (0.62) MAPTALDH1A1GAAKMT2ANPSR1
SCHEMBL27449327 0.66 GAA (0.42) MAPTALDH1A1GAAKMT2ANPSR1
SCHEMBL27710618 0.66 KMT2A (0.39) MAPTALDH1A1GAAKMT2ALMNA
SCHEMBL14218340 0.66 RAD52 (0.56) MAPTALDH1A1GAAKMT2ANPSR1
SCHEMBL5549485 0.65 ALDH1A1 (0.39) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL14050665 0.65 MAPT (0.45) MAPTALDH1A1GAALMNAPOLB

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-2022076629-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
Send feedback