SCHEMBL31584089

SCHEMBL31584089

O=C(O)CCNc1cccc(Br)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
APEX1 P27695 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
NSD2 O96028 1/20 0.45
BLM P54132 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
EGFR P00533 1/20 0.42

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
SCHEMBL29577048 0.83 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10APEX1MEN1
SCHEMBL6090937 0.83 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10APEX1MEN1
SCHEMBL31393673 0.81 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10APEX1MEN1
SCHEMBL31746636 0.81 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10APEX1MEN1
SCHEMBL12533712 0.81 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10APEX1MEN1
SCHEMBL26487832 0.76 HPGD (0.64) ALDH1A1HPGDHSD17B10APEX1MEN1
SCHEMBL8165161 0.74 APEX1 (0.55) ALDH1A1HPGDHSD17B10APEX1MEN1
SCHEMBL11420994 0.74 KDM4E (0.61) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL3207752 0.74 ALDH1A1 (0.66) ALDH1A1HPGDHSD17B10APEX1MEN1
SCHEMBL22498572 0.71 PTGER1 (0.49) THRATHRB

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-2025106910-A1 DEGRADER MOLECULES TARGETING ANDROGEN RECEPTOR FLARE THERAPEUTICS INC. (US) 2025-05-22 WO disclosed