SCHEMBL24197159

SCHEMBL24197159

c1nc(NCC23CCC24CCC3CC4)c2ncn(C3CC3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.54
▸ ADORA2A P29274 4/20 0.45
▸ ADORA3 P0DMS8 5/20 0.40
▸ PI4KA P42356 3/20 0.40
▸ PI4K2B Q8TCG2 3/20 0.40
▸ PI4K2A Q9BTU6 3/20 0.40
▸ PI4KB Q9UBF8 3/20 0.40
▸ ADORA1 P30542 3/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL24197145 0.76 YTHDC1 (0.56) YTHDC1ADORA2AADORA3PI4KAPI4K2B
SCHEMBL24197040 0.73 YTHDC1 (0.59) YTHDC1ADORA2AADORA3PI4KAPI4K2B
SCHEMBL24197135 0.72 YTHDC1 (0.64) YTHDC1ADORA2AADORA3PI4KAPI4K2B
SCHEMBL24196378 0.71 YTHDC1 (1.00) YTHDC1ADORA2AADORA3PI4KAPI4K2B
SCHEMBL24197229 0.68 YTHDC1 (0.55) YTHDC1ADORA2AADORA3PI4KAPI4K2B
SCHEMBL24197147 0.68 YTHDC1 (0.55) YTHDC1ADORA2AADORA3PI4KAPI4K2B
SCHEMBL24197146 0.68 YTHDC1 (0.55) YTHDC1ADORA2AADORA3PI4KAPI4K2B
SCHEMBL24197042 0.67 YTHDC1 (0.53) YTHDC1ADORA2AADORA3PI4KAPI4K2B
SCHEMBL24708227 0.66 YTHDC1 (0.88) YTHDC1ADORA2AADORA3PI4KAPI4K2B
SCHEMBL24196376 0.63 ADORA2A (0.65) YTHDC1ADORA2AADORA3PI4KAPI4K2B

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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