SCHEMBL7811601

SCHEMBL7811601

Cc1c(-c2cccnc2)n(CCCCCCCN(O)C(N)=O)c2ccc(F)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.41
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
KDM4C Q9H3R0 1/20 0.38
CYP11B2 P19099 4/20 0.38
CYP11B1 P15538 2/20 0.38
DHODH Q02127 1/20 0.37
GRM2 Q14416 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7811339 1.00 TBXAS1 (0.55) TBXAS1PTGDR2ESR1ESR2KDM4C
SCHEMBL7803145 0.89 TBXAS1 (0.55) TBXAS1ESR1ESR2CYP11B2CYP11B1
SCHEMBL7803002 0.88 TBXAS1 (0.70) TBXAS1CYP11B2MAPT
SCHEMBL7803232 0.84 TBXAS1 (0.58) TBXAS1PTGDR2ESR1ESR2CYP11B2
SCHEMBL7807925 0.81 TBXAS1 (0.55) TBXAS1PTGDR2ESR1ESR2CYP11B2
SCHEMBL7809652 0.80 TBXAS1 (0.48) TBXAS1CYP11B2CYP11B1PTGES2KDM4E
SCHEMBL7803168 0.79 TBXAS1 (0.54) TBXAS1CYP11B2MAPT
SCHEMBL7803024 0.78 TBXAS1 (0.53) TBXAS1CYP11B2MAPT
SCHEMBL11008497 0.77 TBXAS1 (0.64) TBXAS1ESR1ESR2CYP11B2CYP11B1
SCHEMBL7803153 0.75 CYP11B2 (0.51) TBXAS1CYP11B2CYP11B1PTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0949259-B1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2001-06-20 EP disclosed
US-6184238-B1 ANTIALLERGENS, ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-02-06 US disclosed
EP-0949259-A1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-10-13 EP disclosed