SCHEMBL11094841

SCHEMBL11094841

COC(=O)Cc1cnc(-c2ccccc2)n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
AHR P35869 1/20 0.41
RAB9A P51151 1/20 0.41
CASP6 P55212 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PGGT1B P53609 1/20 0.41
THRB P10828 1/20 0.41
TBXA2R P21731 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL11102018 0.88 PTGDR2 (0.53) ARPTGDR2MEN1KMT2ALMNA
SCHEMBL11099706 0.88 AR (0.47) ARMEN1KMT2ALMNAPOLB
SCHEMBL5327448 0.84 AR (0.53) ARPTGDR2MEN1KMT2ALMNA
SCHEMBL11092968 0.74 HPGDS (0.49) PTGDR2LMNAPOLBRAB9AKDM4E
SCHEMBL7749564 0.73 CYP11B1 (0.58) MEN1KMT2ALMNARAB9AFNTA
Water SCHEMBL11097766 0.73 HPGDS (0.48) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL14979166 0.72 LMNA (0.59) ARPTGDR2KMT2ALMNATHRB
SCHEMBL11094843 0.72 PTGDR2 (0.52) ARPTGDR2MEN1KMT2ALMNA
SCHEMBL1939701 0.71 PTGDR2 (0.80) PTGDR2LMNA
SCHEMBL521069 0.71 MAPT (0.57) MEN1KMT2ALMNATDP1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0028833-B1 IMIDAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-01-25 EP claimed
US-4340598-A Hypotensive imidazole derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-07-20 US claimed
EP-0028833-A2 Imidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-05-20 EP claimed
EP-0028833-B1 IMIDAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-01-25 EP disclosed
US-4340598-A Hypotensive imidazole derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-07-20 US disclosed
EP-0028833-A2 Imidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-05-20 EP disclosed