SCHEMBL7803263

SCHEMBL7803263

COC(=O)CCc1ccc2c(c1)c(C)c(-c1cccnc1)n2C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.53
TBXAS1 P24557 6/20 0.49
HDAC1 Q13547 2/20 0.43
NR4A2 P43354 1/20 0.42
TACR1 P25103 2/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
CYP11B1 P15538 1/20 0.39
MAOA P21397 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PPARG P37231 1/20 0.39
GBA1 P04062 1/20 0.38

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
SCHEMBL7811673 0.82 CYP11B2 (0.58) CYP11B2TBXAS1TACR1ALDH1A1CYP11B1
SCHEMBL7815564 0.81 CYP11B2 (0.64) CYP11B2TBXAS1NR4A2TACR1CYP11B1
SCHEMBL7803234 0.81 CYP11B2 (0.60) CYP11B2TBXAS1HDAC1NR4A2TACR1
SCHEMBL7803153 0.80 CYP11B2 (0.51) CYP11B2TBXAS1HDAC1NR4A2TACR1
SCHEMBL7812395 0.80 CYP11B2 (0.58) CYP11B2TBXAS1NR4A2KDM4EALDH1A1
SCHEMBL7817257 0.80 CYP11B2 (0.53) CYP11B2TBXAS1HDAC1NR4A2TACR1
SCHEMBL7803167 0.79 CYP11B2 (0.50) CYP11B2TBXAS1NR4A2TACR1GABRA1
SCHEMBL7796987 0.79 TBXAS1 (0.71) CYP11B2TBXAS1TACR1CYP11B1MAOA
SCHEMBL11033906 0.75 TBXAS1 (0.75) TBXAS1
SCHEMBL12646562 0.75 HDAC1 (0.60) CYP11B2TBXAS1HDAC1KDM4ENPC1

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