SCHEMBL10369237

SCHEMBL10369237

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(c2nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)no2)=C(C)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SERPINE1 P05121 4/20 0.42
ENPP2 Q13822 1/20 0.40
KCNH2 Q12809 2/20 0.40
ABCB1 P08183 2/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL10369238 1.00 MEN1 (0.43) MEN1KMT2ASERPINE1ENPP2KCNH2
SCHEMBL7311935 0.93 KCNH2 (0.48) MEN1KMT2AKCNH2ABCB1PGR
SCHEMBL10368764 0.88 KCNH2 (0.40) MEN1KMT2ASERPINE1ENPP2KCNH2
SCHEMBL10368230 0.86 ABCB1 (0.48) MEN1KMT2AKCNH2ABCB1PGR
SCHEMBL10368228 0.86 ABCB1 (0.48) MEN1KMT2AKCNH2ABCB1PGR
SCHEMBL10366377 0.83 DRD3 (0.46) KCNH2ABCB1PGRCHRM2HTR1A
SCHEMBL10366379 0.83 DRD3 (0.46) KCNH2ABCB1PGRCHRM2HTR1A
SCHEMBL7315290 0.79 PDE1C (0.50) MEN1KMT2AADORA3CACNA1CCACNA1B
SCHEMBL7315909 0.79 ABCB1 (0.57) MEN1KMT2AKCNH2ABCB1PGR
SCHEMBL7317593 0.77 ABCB1 (0.51) MEN1KMT2AKCNH2ABCB1PGR

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-0177965-B1 NOVEL OXA- AND THIADIAZOLYL DERIVATIVES AND THEIR USE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-03-21 EP claimed