SCHEMBL7803232

SCHEMBL7803232

Cc1c(-c2cccnc2)n(CCCCCCO)c2ccc(F)cc12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.58
MAPT P10636 2/20 0.47
ESR1 P03372 4/20 0.46
ESR2 Q92731 4/20 0.46
CYP11B2 P19099 7/20 0.44
CYP11B1 P15538 4/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
HRH1 P35367 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL7807925 0.87 TBXAS1 (0.55) TBXAS1MAPTESR1ESR2CYP11B2
Hydrochloric Acid SCHEMBL11007370 0.86 TBXAS1 (0.57) TBXAS1MAPTESR1ESR2CYP11B2
SCHEMBL11014108 0.85 TBXAS1 (0.76) TBXAS1MAPTESR1ESR2CYP11B2
SCHEMBL11009883 0.85 TBXAS1 (0.76) TBXAS1MAPTESR1ESR2CYP11B2
Hydrochloric Acid SCHEMBL11069109 0.85 TBXAS1 (0.56) TBXAS1MAPTESR1ESR2CYP11B2
Hydrochloric Acid SCHEMBL11069103 0.85 TBXAS1 (0.56) TBXAS1MAPTESR1ESR2CYP11B2
SCHEMBL7811601 0.84 TBXAS1 (0.55) TBXAS1MAPTESR1ESR2CYP11B2
SCHEMBL7811339 0.84 TBXAS1 (0.55) TBXAS1MAPTESR1ESR2CYP11B2
SCHEMBL1606827 0.83 TBXAS1 (0.55) TBXAS1MAPTESR1ESR2CYP11B2
SCHEMBL28107204 0.79 CYP11B2 (0.59) TBXAS1MAPTESR1CYP11B2CYP11B1

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