SCHEMBL9687209

SCHEMBL9687209

COC(=O)c1ccc(CNc2ccc(F)cc2[N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
HCAR3 P49019 2/20 0.48
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 2/20 0.47
PTGER4 P35408 1/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47

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
SCHEMBL9688910 0.91 HTR6 (0.53) MAPTMEN1KMT2ALMNATDP1
SCHEMBL14376796 0.90 MAPT (0.61) MAPTMEN1KMT2ALMNATDP1
SCHEMBL2879386 0.87 MAPT (0.60) MAPTMEN1KMT2ALMNATDP1
SCHEMBL5361493 0.86 MAPT (0.70) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL9687736 0.85 SMN1; SMN2 (0.60) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9683146 0.84 MAPT (0.57) MAPTMEN1KMT2ALMNATDP1
SCHEMBL12004226 0.83 MAPT (0.56) MAPTMEN1KMT2ALMNAHCAR3
SCHEMBL4537985 0.83 MAPT (0.62) MAPTMEN1KMT2ALMNATDP1
SCHEMBL16713330 0.83 MAPT (0.56) MAPTMEN1KMT2ALMNATDP1
SCHEMBL15687598 0.83 POLB (0.61) MAPTMEN1KMT2ALMNAPOLB

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
US-5171748-A For hypertension, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-15 US disclosed