SCHEMBL26123714

SCHEMBL26123714

O=C(Cc1cc([N+](=O)[O-])c(F)cc1F)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.55
MAOB P27338 2/20 0.55
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 2/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
CES2 O00748 2/20 0.40
VCAM1 P19320 1/20 0.40
CES1 P23141 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
TTR P02766 1/20 0.40

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
SCHEMBL4283725 0.82 CYP1A2 (0.53) MEN1KMT2ALMNAHTTMAPT
SCHEMBL17009732 0.82 CYP1A2 (0.53) MEN1KMT2ALMNAHTTMAPT
SCHEMBL3093455 0.81 MAPK1 (0.47) MAOAMAOBMEN1KMT2ALMNA
SCHEMBL9651648 0.80 MAOA (0.59) MAOAMAOBMEN1KMT2ALMNA
SCHEMBL26125375 0.80 MAOA (0.60) MAOAMEN1KMT2ALMNAHTT
SCHEMBL8945818 0.79 MAOA (0.59) MAOAMAOBMEN1KMT2ALMNA
SCHEMBL26125591 0.77 ATM (0.41) MEN1KMT2ALMNAHTTMAPT
SCHEMBL15289503 0.77 ATM (0.41) MEN1KMT2ALMNAHTTMAPT
SCHEMBL26122944 0.76 RAB9A (0.44) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL19329494 0.75 CYP1A2 (0.70) MAOAMAOBMEN1KMT2AMAPT

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
WO-2023186881-A1 P38 MAP KINASE INHIBITORS FOR USE IN THE TREATMENT OF COLORECTAL CANCER BADEN-WÜRTTEMBERG STIFTUNG GGMBH (DE) 2023-10-05 WO disclosed
WO-2023186881-A1 P38 MAP KINASE INHIBITORS FOR USE IN THE TREATMENT OF COLORECTAL CANCER BADEN-WÜRTTEMBERG STIFTUNG GGMBH (DE) 2023-10-05 WO disclosed