SCHEMBL9239403

SCHEMBL9239403

O=C1CCC([N+](=O)[O-])C(c2ccc(F)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
KDM1A O60341 2/20 0.36
POLB P06746 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ESR2 Q92731 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
TRPA1 O75762 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ATM Q13315 1/20 0.32

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
SCHEMBL9239433 0.85 TDP1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL2358981 0.77 HRH3 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL2358983 0.77 HRH3 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL8795939 0.76 CHRNB2 (0.41) MEN1KMT2AALDH1A1TDP1
SCHEMBL8795450 0.76 CHRNB2 (0.41) MEN1KMT2AALDH1A1TDP1
SCHEMBL1410825 0.75 PDE4B (0.51) MEN1KMT2ANPSR1POLBRAB9A
SCHEMBL2655142 0.75 KDM1A (0.48) MEN1KMT2ATDP1NPSR1KDM1A
SCHEMBL3750998 0.75 KMT2A (0.37) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL3750991 0.75 KMT2A (0.37) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL3750983 0.75 KMT2A (0.37) MEN1KMT2AALDH1A1SMN1; SMN2TDP1

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
EP-0657455-A1 Epi-epibatidine derivatives, a process and intermediates for preparing them and epi-epibatidine and medicaments containing the epi-epibatidine derivatives and/or epi-epibatidine and the use of them EGIS GYOGYSZERGYAR (HU) 1995-06-14 EP disclosed