SCHEMBL30258140

SCHEMBL30258140

COC(=O)c1cc(-c2ccc(C)cc2Cl)cc([N+](=O)[O-])c1Nc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.42
MEN1 O00255 11/20 0.42
KDM4E B2RXH2 1/20 0.41
CXCR2 P25025 1/20 0.41
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
LMNA P02545 5/20 0.39
MAPT P10636 5/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL25302825 1.00 KMT2A (0.42) KMT2AMEN1KDM4ECXCR2NPC1
SCHEMBL25302964 0.83 MEN1 (0.45) KMT2AMEN1KDM4ECXCR2NPC1
SCHEMBL30198344 0.83 MEN1 (0.45) KMT2AMEN1KDM4ECXCR2NPC1
SCHEMBL23925436 0.78 MEN1 (0.52) KMT2AMEN1KDM4ECXCR2CYP3A4
SCHEMBL30198468 0.78 MEN1 (0.52) KMT2AMEN1KDM4ECXCR2CYP3A4
SCHEMBL26631548 0.73 KMT2A (0.40) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL30139037 0.73 KMT2A (0.40) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL5789975 0.72 MEN1 (0.46) KMT2AMEN1KDM4ECXCR2CYP3A4
SCHEMBL10870059 0.71 MEN1 (0.50) KMT2AMEN1KDM4ECXCR2NPC1
SCHEMBL27649932 0.70 SLC6A3 (0.57) KMT2AMEN1KDM4ELMNAMAPT

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
CN-115443268-A Benzimidazole derivatives 豪夫迈·罗氏有限公司 2022-12-06 CN disclosed