SCHEMBL31444015

SCHEMBL31444015

O=[N+]([O-])c1c(F)ccc(Br)c1SCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
GSTP1 P09211 1/20 0.38
GSTM2 P28161 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP2C9 P11712 2/20 0.37
POLB P06746 2/20 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
SCHEMBL31034712 0.78 CA12 (0.55) CA12CA1CA2CA7CA13
SCHEMBL30908161 0.75 MEN1 (0.54) CA12CA1CA2CA7CA13
SCHEMBL31120599 0.74 MEN1 (0.49) CA12CA1CA2CA7CA13
SCHEMBL25367087 0.72 MGMT (0.44) MEN1KMT2AMAPT
SCHEMBL28445076 0.72 HPGD (0.48) CA12CA1CA2CA7CA13
SCHEMBL18708574 0.70 POLB (0.45) CA12CA1CA2CA7CA13
SCHEMBL20660257 0.69 MAOB (0.43) CA12CA1CA2CA7CA13
SCHEMBL28995361 0.69 ALDH1A1 (0.42) CA12CA1CA2CA7CA13
SCHEMBL16739101 0.68 VCP (0.40) ALDH1A1MAPTMAPK1CYP3A4
SCHEMBL29686335 0.68 VCP (0.40) ALDH1A1MAPTMAPK1CYP3A4

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-2025096856-A1 COVALENT CEREBLON LIGANDS C4 THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed