SCHEMBL28566263

SCHEMBL28566263

COC(=O)c1ccc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.60
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
ALDH1A1 P00352 5/20 0.59
LMNA P02545 3/20 0.59
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
ATM Q13315 1/20 0.58
MAPT P10636 4/20 0.58
MAPK1 P28482 2/20 0.58
MCL1 Q07820 1/20 0.58
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL28554330 0.88 MEN1 (0.69) WDR5MEN1KMT2AALDH1A1LMNA
SCHEMBL1454722 0.87 KMT2A (0.65) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL29564693 0.86 VCAM1 (0.62) WDR5MEN1KMT2AALDH1A1LMNA
SCHEMBL31493 0.86 VCAM1 (0.62) WDR5MEN1KMT2AALDH1A1LMNA
SCHEMBL1724611 0.84 AKR1C2 (0.67) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL2779018 0.84 KMT2A (0.68) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL1455710 0.83 MAPT (0.62) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL1455769 0.82 MAPT (0.61) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL6813549 0.81 MEN1 (0.70) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL2948960 0.81 ERN1 (0.60) WDR5MEN1KMT2AALDH1A1MAPT

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-112638909-A Compounds with antibacterial activity 香港理工大学 2021-04-09 CN disclosed