SCHEMBL29611607

SCHEMBL29611607

COc1ccc(CNc2ncnc3c2c(Br)cn3[C@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.54
▸ ADORA3 P0DMS8 2/20 0.54
▸ ADORA2A P29274 2/20 0.54
▸ HTR2B P41595 5/20 0.52
▸ SIGMAR1 Q99720 4/20 0.51
▸ TMEM97 Q5BJF2 2/20 0.51
▸ HTR1D P28221 1/20 0.51
▸ ADRA2C P18825 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ HTR6 P50406 1/20 0.50
▸ ADK P55263 1/20 0.49
▸ SLC28A2 O43868 1/20 0.48
▸ PRKAG1 P54619 1/20 0.47
▸ PRKAA1 Q13131 1/20 0.47
▸ PRKAB1 Q9Y478 1/20 0.47

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
SCHEMBL27090409 1.00 ADORA1 (0.54) ADORA1ADORA3ADORA2AHTR2BSIGMAR1
SCHEMBL23273892 0.87 ADORA3 (0.44) ADORA1ADORA3ADORA2AHTR2BSIGMAR1
SCHEMBL29610954 0.86 PRMT5 (0.47) ADORA1ADORA3ADORA2AADK
SCHEMBL29611468 0.86 PRMT5 (0.47) ADORA1ADORA3ADORA2AADK
SCHEMBL24313850 0.86 PRMT5 (0.47) ADORA1ADORA3ADORA2AADK
SCHEMBL9280202 0.85 METTL3 (0.60) ADORA1ADORA3ADORA2AADKSLC28A2
SCHEMBL19583130 0.84 ADORA1 (0.75) ADORA1ADORA3ADORA2APRKAG1PRKAA1
SCHEMBL640190 0.84 ADORA1 (0.75) ADORA1ADORA3ADORA2APRKAG1PRKAA1
SCHEMBL17825998 0.84 ADORA1 (0.75) ADORA1ADORA3ADORA2APRKAG1PRKAA1
SCHEMBL640189 0.84 ADORA1 (0.75) ADORA1ADORA3ADORA2APRKAG1PRKAA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229067-A1 METTL3 MODULATORS Accent Therapeutics, Inc. (US) 2023-08-23 — — EP disclosed
WO-2022081739-A1 METTL3 MODULATORS ACCENT THERAPEUTICS, INC. (US) 2022-04-21 — — WO disclosed
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