SCHEMBL22549751

SCHEMBL22549751

OC1Nc2ccc(Br)c3cccc1c23

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
APP P05067 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
SNCA P37840 1/20 0.33
RAB9A P51151 1/20 0.33
MCL1 Q07820 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL24158177 0.76 MEN1 (0.36) MEN1KMT2AGAACYP1A2L3MBTL1
SCHEMBL22550304 0.72 PAX8 (0.38) MEN1KMT2A
SCHEMBL21104440 0.72 MEN1 (0.53) MEN1KMT2AGAACYP1A2L3MBTL1
SCHEMBL22549892 0.70 GAA (0.33) MEN1KMT2AGAACYP1A2L3MBTL1
SCHEMBL24329565 0.70 PNMT (0.33) CYP1A2CYP1B1
SCHEMBL22579756 0.67 EDNRB (0.38) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL3583212 0.66 CYP1B1 (0.33) CYP1A2CYP1B1
SCHEMBL17280555 0.64 KDM1A (0.38) CYP1A2CYP1B1
SCHEMBL23049948 0.64 CYP1B1 (0.42) MEN1KMT2ACYP1A2L3MBTL1ALDH1A1
SCHEMBL2679177 0.63 CYP1A2 (0.45) MEN1KMT2ACYP1A2ALDH1A1MAPT

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
WO-2020210630-A1 TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS C4 THERAPEUTICS, INC. (US) 2020-10-15 WO disclosed