SCHEMBL9688910

SCHEMBL9688910

COC(=O)c1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
SERPINE1 P05121 1/20 0.45
THRB P10828 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.43
VCAM1 P19320 1/20 0.43

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
SCHEMBL9687209 0.91 MAPT (0.53) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL16041870 0.86 ABL1 (0.46) HTR6MAPTSMN1; SMN2POLBCA1
SCHEMBL31612035 0.83 MAPT (0.54) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL17184370 0.83 MAPT (0.54) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL30202595 0.83 POLB (0.58) HTR6MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28515255 0.83 POLB (0.58) HTR6MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9689325 0.83 MAPT (0.63) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL15761760 0.82 MEN1 (0.55) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL14376796 0.81 MAPT (0.61) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL28989431 0.80 HTR6 (0.49) HTR6MEN1KMT2AMAPTLMNA

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