SCHEMBL30973459

SCHEMBL30973459

CCOC(COc1cccc(Br)c1OC)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 5/20 0.34
LMNA P02545 4/20 0.34
MAPK1 P28482 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.33
AGTR1 P30556 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL8584612 0.86 SMN1; SMN2 (0.46) SMN1; SMN2MAPTLMNAMAPK1L3MBTL1
SCHEMBL1866136 0.82 KMT2A (0.48) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL29831530 0.82 KMT2A (0.48) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL16067896 0.82 NCOA1 (0.47) SMN1; SMN2NCOA1NCOA3MEN1KMT2A
SCHEMBL16048103 0.80 KMT2A (0.35) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL1919969 0.77 LMNA (0.54) SMN1; SMN2MAPTLMNAHPGDL3MBTL1
SCHEMBL29678765 0.75 CYP1A2 (0.38) SMN1; SMN2MEN1KMT2ALMNAHPGD
SCHEMBL18305182 0.75 CYP1A2 (0.38) SMN1; SMN2MEN1KMT2ALMNAHPGD
SCHEMBL15068012 0.74 CA12 (0.39) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL25166188 0.74 L3MBTL1 (0.37) SMN1; SMN2MEN1KMT2AMAPTHPGD

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-4642784-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2025-11-05 EP disclosed
WO-2024145623-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed