SCHEMBL23052151

SCHEMBL23052151

CC(=O)N1N=C(c2ccc3c(c2)OCO3)CC1c1ccc2nccnc2c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.71
▸ TERT O14746 15/20 0.70
▸ NPC1 O15118 1/20 0.70
▸ PKM P14618 1/20 0.70
▸ RAB9A P51151 1/20 0.70
▸ MEN1 O00255 1/20 0.66
▸ CYP1A2 P05177 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ CYP2C19 P33261 1/20 0.66
▸ KMT2A Q03164 1/20 0.66

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
SCHEMBL23052323 1.00 ACHE (0.71) ACHETERTNPC1PKMRAB9A
SCHEMBL23052154 0.83 ACHE (0.59) ACHETERTNPC1PKMRAB9A
SCHEMBL1660270 0.83 ACHE (0.92) ACHETERTNPC1PKMRAB9A
SCHEMBL23052325 0.82 MEN1 (0.69) TERTNPC1RAB9AMEN1CYP1A2
SCHEMBL14133457 0.77 MEN1 (0.62) NPC1PKMRAB9AMEN1CYP1A2
SCHEMBL14133465 0.77 NPC1 (0.74) ACHETERTNPC1PKMRAB9A
SCHEMBL23052322 0.77 NPC1 (0.74) ACHETERTNPC1PKMRAB9A
SCHEMBL23052333 0.75 POLB (0.54) ACHETERTNPC1PKMRAB9A
SCHEMBL23052327 0.73 MEN1 (0.59) TERTNPC1RAB9AMEN1CYP1A2
SCHEMBL23052332 0.73 KMT2A (0.73) ACHETERTNPC1RAB9AMEN1

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-2021039824-A1 RNA METHYLTRANSFERASE INHIBITOR, SCREENING METHOD THEREFOR, ANTI-CANCER AGENT EFFICACY ASSESSMENT MARKER, AND KIT FOR EFFECTIVELY PREDICTING FTSJ1 INHIBITOR 国立大学法人 岡山大学 2021-03-04 — — WO disclosed
Send feedback