SCHEMBL29853014

SCHEMBL29853014

CCOC(=O)Cc1ccccc1OCc1c(C(C)(C)C)oc2ccc(Br)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
TBXAS1 P24557 1/20 0.39
MAPT P10636 3/20 0.38
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CFD P00746 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
LMNA P02545 2/20 0.37
ALOX5 P09917 5/20 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
SCHEMBL23218175 1.00 KMT2A (0.42) KMT2AALDH1A1HPGDHTTMEN1
SCHEMBL23218217 0.90 ALDH1A1 (0.40) KMT2AALDH1A1HPGDHTTMEN1
SCHEMBL29853053 0.90 ALDH1A1 (0.40) KMT2AALDH1A1HPGDHTTMEN1
SCHEMBL29853241 0.90 KMT2A (0.41) KMT2AALDH1A1HPGDHTTMEN1
SCHEMBL23218361 0.90 KMT2A (0.41) KMT2AALDH1A1HPGDHTTMEN1
SCHEMBL23219259 0.88 TBXAS1 (0.41) KMT2AMEN1TBXAS1MAPTTSHR
SCHEMBL29853250 0.88 TBXAS1 (0.41) KMT2AMEN1TBXAS1MAPTTSHR
SCHEMBL29852506 0.87 TSHR (0.40) KMT2AALDH1A1HPGDHTTMEN1
SCHEMBL23218789 0.87 TSHR (0.40) KMT2AALDH1A1HPGDHTTMEN1
SCHEMBL23218330 0.87 TBXAS1 (0.40) KMT2ACYP2C9CYP2C19TBXAS1MAPT

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
EP-4041238-A1 ORAL COMPLEMENT FACTOR D INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-08-17 EP disclosed