SCHEMBL30454032

SCHEMBL30454032

COc1ccc(I)nc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 6/20 0.39
NQO1 P15559 1/20 0.34
MAPT P10636 5/20 0.33
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
PGK1 P00558 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL130142 1.00 NQO2 (0.39) NQO2NQO1MAPTALDH1A1NPC1
SCHEMBL441334 0.80 KMT2A (0.39) NQO2NQO1MAPTALDH1A1NPC1
SCHEMBL23904774 0.79 S1PR4 (0.35) MAPT
SCHEMBL15596189 0.78 HPGD (0.42) MAPTALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL24156416 0.78 TLR8 (0.34) MAPTALDH1A1SMN1; SMN2
SCHEMBL18387748 0.77 S1PR4 (0.43) ALDH1A1KDM4EL3MBTL1
SCHEMBL28511868 0.77 NQO2 (0.40) NQO2NQO1MAPTALDH1A1NPC1
SCHEMBL2144116 0.77 S1PR4 (0.43) NQO2NQO1MAPTALDH1A1NPC1
SCHEMBL29769759 0.77 S1PR4 (0.43) NQO2NQO1MAPTALDH1A1NPC1
SCHEMBL2415179 0.76 APP (0.53) MAPTNPC1SMN1; SMN2RAB9ATP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025068943-A1 KAT6 INHIBITORS BEIGENE SWITZERLAND GMBH (CH) 2025-04-03 WO disclosed
WO-2023122000-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2023-06-29 WO disclosed
WO-2023121713-A1 BCL-2 INHIBITORS NEW AVE PHARMACEUTICAL INC. (US) 2023-06-29 WO disclosed