SCHEMBL29207333

SCHEMBL29207333

CC(=O)Nc1c(Br)cc(C)c(F)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 1/20 0.37
HTT P42858 2/20 0.36
ALDH1A1 P00352 4/20 0.36
RORC P51449 1/20 0.35
POLB P06746 2/20 0.34
GALR2 O43603 1/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
CCR6 P51684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL18322060 0.89 MAPT (0.40) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL26922015 0.81 GAA (0.41) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL31569422 0.81 MAPT (0.43) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL2320088 0.81 MAPT (0.43) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL30946511 0.77 MAPT (0.40) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL19000145 0.77 GAA (0.40) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL9725076 0.76 MAPT (0.42) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL21684641 0.76 MAPT (0.44) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL8112444 0.74 ALDH1A1 (0.40) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL5488909 0.74 ALDH1A1 (0.40) MAPTGAAKDM4EMEN1KMT2A

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-4596551-A1 COMPOUNDS WITH ANTI-KRAS MUTANT TUMOR ACTIVITY Trasveda Ltd. (KY) 2025-08-06 EP disclosed
CN-117800975-A Compounds with anti-KRAS mutant tumor activity 泰励生物科技(上海)有限公司 2024-04-02 CN disclosed