SCHEMBL29610848

SCHEMBL29610848

COc1ccc(CNc2ncnc3c2c(Br)cn3[C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRAS P01112 1/20 0.47
▸ GAPDH P04406 2/20 0.46
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP1A2 P05177 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39

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
SCHEMBL27090412 1.00 HRAS (0.47) HRASGAPDHMEN1USP2POLB
SCHEMBL27090398 0.81 CYP1A2 (0.40) MEN1USP2KMT2ACYP1A2CYP3A4
SCHEMBL27091934 0.81 CYP1A2 (0.40) MEN1USP2KMT2ACYP1A2CYP3A4
SCHEMBL29611607 0.78 ADORA1 (0.54) ADORA3
SCHEMBL27090409 0.78 ADORA1 (0.54) ADORA3
SCHEMBL18572826 0.78 MEN1 (0.50) HRASGAPDHMEN1USP2POLB
SCHEMBL20938335 0.78 P2RX3 (0.55) GAPDHMEN1USP2POLBKMT2A
SCHEMBL29611627 0.78 MEN1 (0.50) HRASGAPDHMEN1USP2POLB
SCHEMBL29612073 0.78 MEN1 (0.50) HRASGAPDHMEN1USP2POLB
SCHEMBL24313565 0.76 ADORA3 (0.43) MEN1USP2KMT2ACYP1A2CYP3A4

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