SCHEMBL31334837

SCHEMBL31334837

O=C1[C@@H](O)CCN1c1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 3/20 0.48
MGLL Q99685 1/20 0.44
ROCK2 O75116 2/20 0.43
ALOX5 P09917 2/20 0.42
HSD11B1 P28845 1/20 0.41
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.38
TP53 P04637 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37

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
SCHEMBL12099243 0.81 HSD11B1 (0.52) L3MBTL1ALDH1A1MGLLROCK2ALOX5
SCHEMBL27508322 0.81 ATM (0.52) ATML3MBTL1ALDH1A1MGLLROCK2
SCHEMBL18048847 0.80 ROCK2 (0.50) ALDH1A1MGLLROCK2FPR1FPR2
SCHEMBL5846834 0.80 ROCK2 (0.50) ALDH1A1MGLLROCK2FPR1FPR2
SCHEMBL18048717 0.80 ROCK2 (0.50) ALDH1A1MGLLROCK2FPR1FPR2
SCHEMBL826412 0.80 MEN1 (0.50) ALDH1A1MGLLROCK2FPR1FPR2
SCHEMBL826237 0.80 MEN1 (0.50) ALDH1A1MGLLROCK2FPR1FPR2
SCHEMBL3083319 0.80 MEN1 (0.50) ALDH1A1MGLLROCK2FPR1FPR2
SCHEMBL7610183 0.79 CA12 (0.55) ALDH1A1ALOX5CA12CA1CA2
SCHEMBL7607804 0.79 CA12 (0.55) ALDH1A1ALOX5CA12CA1CA2

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-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 EP disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 WO disclosed