SCHEMBL26089934

SCHEMBL26089934

O=C(O)Nc1cccc(F)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.46
MEN1 O00255 8/20 0.46
MAPT P10636 7/20 0.45
LMNA P02545 5/20 0.45
HTT P42858 4/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
POLB P06746 2/20 0.42
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
MAPK1 P28482 1/20 0.42
RORC P51449 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39

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
SCHEMBL20560639 0.85 KMT2A (0.44) KMT2AMEN1MAPTLMNAHTT
SCHEMBL30739739 0.84 MEN1 (0.58) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL18764592 0.81 TGM2 (0.48) KMT2AMEN1MAPTLMNAHTT
SCHEMBL169338 0.81 POLB (0.54) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL169339 0.81 POLB (0.54) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL16831668 0.81 ALDH1A1 (0.60) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL16831666 0.81 ALDH1A1 (0.60) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL29132780 0.81 KMT2A (0.42) KMT2AMEN1MAPTLMNAHTT
SCHEMBL20560220 0.81 KMT2A (0.40) KMT2AMEN1MAPTLMNAHTT
SCHEMBL31067320 0.79 HPGD (0.45) KMT2AMEN1MAPTLMNAHTT

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-2023067354-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed