SCHEMBL31433781

SCHEMBL31433781

O=C(O)c1cc(Br)c(F)cc1NC1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.48
KCNK2 O95069 1/20 0.45
KCNK10 P57789 1/20 0.45
CISD1 Q9NZ45 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 2/20 0.39

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
SCHEMBL4511114 0.87 ROCK2 (0.56) ROCK2CISD1CA12CA1CA2
SCHEMBL4514005 0.81 CA1 (0.51) ROCK2CISD1CA12CA1CA2
SCHEMBL3313227 0.81 CA1 (0.53) ROCK2CISD1CA12CA1CA2
SCHEMBL15635143 0.81 CA1 (0.50) ROCK2CISD1CA12CA1CA2
SCHEMBL6801259 0.78 CA1 (0.54) ROCK2CISD1CA12CA1CA2
SCHEMBL25335478 0.77 ROCK2 (0.42) ROCK2PIM1GAAKDM4E
SCHEMBL16004173 0.77 KCNK2 (0.49) KCNK2KCNK10CA12CA1CA2
SCHEMBL21384569 0.77 ACLY (0.48) KCNK2KCNK10KDM4ETDP1
SCHEMBL28974855 0.76 ROCK2 (0.42) ROCK2KMT2APIM1PIM2NPC1
Hydrochloric Acid SCHEMBL21988903 0.76 KCNK2 (0.48) KCNK2KCNK10CA12CA1CA2

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-2025050016-A1 TRICYCLIC QUINOLONE BCL6 BIFUNCTIONAL DEGRADERS Treeline Biosciences, Inc. (US) 2025-03-06 WO disclosed