SCHEMBL25796799

SCHEMBL25796799

Cc1cc(C)cc(Nc2c(C)oc3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ LMNA P02545 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ GAA P10253 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ RAB9A P51151 2/20 0.48
▸ IDO1 P14902 2/20 0.48
▸ TDO2 P48775 2/20 0.48
▸ RAPGEF4 Q8WZA2 1/20 0.46
▸ ALOX15 P16050 1/20 0.43
▸ HPGD P15428 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL23168682 0.73 ALDH1A1 (0.42) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL30661289 0.71 MAOB (0.43) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL28744690 0.71 MAOB (0.43) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL24179218 0.71 RAPGEF4 (0.50) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL10313317 0.70 KDM1A (0.72) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL12155637 0.68 MAPT (0.74) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL19087412 0.67 RAPGEF4 (0.71) ALDH1A1RAPGEF4
SCHEMBL1921447 0.66 RAPGEF4 (0.50) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL30028309 0.66 ALDH2 (0.52) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL1688844 0.66 NPSR1 (0.71) MAPTALDH1A1KDM4ELMNAGAA

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-2023127495-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT キヤノン株式会社 2023-07-06 — — WO disclosed
Send feedback