SCHEMBL24197038

SCHEMBL24197038

N=Cc1c(NCCC2=CCCCC2)ncnc1Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.52
▸ MAPT P10636 6/20 0.52
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ HPGD P15428 4/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ HTT P42858 4/20 0.51
▸ LMNA P02545 4/20 0.51
▸ GALR3 O60755 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ TP53 P04637 4/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALOX12 P18054 1/20 0.44
▸ ALOX15 P16050 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL24196760 0.82 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL24197032 0.79 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL24197136 0.74 EGFR (0.39) MAPTSMN1; SMN2KDM4ERAB9AMEN1
SCHEMBL20925388 0.70 CCNC (0.44) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL26255159 0.69 MAPT (0.64) ALDH1A1MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL13821142 0.68 ABL1 (0.50) HTTLMNAMAPK1
SCHEMBL26255153 0.68 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL24196743 0.68 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL27371685 0.68 MAPT (0.62) ALDH1A1MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL26255168 0.67 KDM4E (0.98) ALDH1A1MAPTSMN1; SMN2KDM4ERAB9A

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-2022011171-A1 NOVEL COMPOUNDS AND METHODS FOR INCREASING KLOTHO GENE EXPRESSION KLOTHO THERAPEUTICS, INC. (US) 2022-01-13 — — WO disclosed
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