SCHEMBL29611113

SCHEMBL29611113

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 5/20 0.41
▸ SIGMAR1 Q99720 3/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.41
▸ ADORA3 P0DMS8 3/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ PRMT5 O14744 5/20 0.39
▸ METTL3 Q86U44 4/20 0.39
▸ ADRA2C P18825 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL24313826 1.00 HTR2B (0.41) HTR2BSIGMAR1HTR1DTMEM97ADORA3
SCHEMBL27090421 1.00 HTR2B (0.41) HTR2BSIGMAR1HTR1DTMEM97ADORA3
SCHEMBL29772257 0.88 CYP1A2 (0.37) ADORA3PRMT5METTL3ALDH1A1CYP1A2
SCHEMBL30106843 0.88 CYP1A2 (0.36) ADORA3PRMT5METTL3ALDH1A1CYP1A2
SCHEMBL23273885 0.88 CYP1A2 (0.37) ADORA3PRMT5METTL3ALDH1A1CYP1A2
SCHEMBL29611607 0.84 ADORA1 (0.54) HTR2BSIGMAR1HTR1DTMEM97ADORA3
SCHEMBL27090409 0.84 ADORA1 (0.54) HTR2BSIGMAR1HTR1DTMEM97ADORA3
SCHEMBL23273892 0.81 ADORA3 (0.44) HTR2BSIGMAR1HTR1DTMEM97ADORA3
SCHEMBL29772259 0.80 PRMT5 (0.39) ADORA3PRMT5METTL3
SCHEMBL23313210 0.79 HTR2B (0.51) HTR2BSIGMAR1HTR1DTMEM97ADORA3

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
Send feedback