SCHEMBL24287259

SCHEMBL24287259

Cc1ccc(Oc2nc3ccccc3nc2C)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.56
▸ NQO2 P16083 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TSHR P16473 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HTR1A P08908 2/20 0.40
▸ HTR3A P46098 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ AHR P35869 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PSMB5 P28074 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ RAB9A P51151 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
SCHEMBL18796236 0.84 NQO2 (0.44) GAANQO2SMN1; SMN2L3MBTL1MAPT
SCHEMBL24287258 0.82 ALDH1A1 (0.50) NQO2SMN1; SMN2L3MBTL1MAPTTSHR
SCHEMBL26813125 0.81 GAA (0.51) GAANQO2SMN1; SMN2L3MBTL1MAPT
SCHEMBL24287257 0.81 SMN1; SMN2 (0.50) GAANQO2SMN1; SMN2L3MBTL1MAPT
SCHEMBL26817465 0.73 KDM4E (0.59) GAAMAPTKDM4EHPGDLMNA
SCHEMBL31666386 0.73 HTR1A (0.50) GAASMN1; SMN2L3MBTL1MAPTHTR1A
SCHEMBL4950654 0.73 HTR1A (0.50) GAASMN1; SMN2L3MBTL1MAPTHTR1A
SCHEMBL16795314 0.72 ALDH1A1 (0.54) SMN1; SMN2L3MBTL1MAPTTSHRKDM4E
SCHEMBL18796404 0.72 LCK (0.52) GAANQO2SMN1; SMN2L3MBTL1MAPT
SCHEMBL18796088 0.72 L3MBTL1 (0.47) GAANQO2SMN1; SMN2L3MBTL1MAPT

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
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