SCHEMBL7815329

SCHEMBL7815329

Cc1c(-c2cccnc2)n(C)c2ccc(Br)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.68
CYP11B1 P15538 3/20 0.48
MAOA P21397 1/20 0.48
TBXAS1 P24557 4/20 0.44
RXFP1 Q9HBX9 2/20 0.40
KMT2A Q03164 1/20 0.40
PRNP P04156 1/20 0.39
PPARG P37231 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
CYP2A6 P11509 2/20 0.39
DYRK1A Q13627 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2B6 P20813 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HK1 P19367 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
SCHEMBL3852371 0.83 CYP11B2 (0.47) CYP11B2MAOAKMT2APPARGNPSR1
SCHEMBL1606034 0.81 CYP11B2 (1.00) CYP11B2CYP11B1MAOATBXAS1CYP2A6
SCHEMBL7803219 0.81 CYP11B2 (0.64) CYP11B2CYP11B1MAOATBXAS1CYP2A6
SCHEMBL7815564 0.81 CYP11B2 (0.64) CYP11B2CYP11B1MAOATBXAS1PPARG
SCHEMBL7803234 0.78 CYP11B2 (0.60) CYP11B2CYP11B1MAOATBXAS1KMT2A
SCHEMBL7811673 0.77 CYP11B2 (0.58) CYP11B2CYP11B1MAOATBXAS1PPARG
SCHEMBL7812395 0.77 CYP11B2 (0.58) CYP11B2CYP11B1MAOATBXAS1KDM4E
SCHEMBL7817257 0.75 CYP11B2 (0.53) CYP11B2CYP11B1MAOATBXAS1PPARG
SCHEMBL15332857 0.74 CYP11B2 (0.46) CYP11B2CYP11B1TBXAS1RXFP1KMT2A
SCHEMBL10175606 0.74 CYP11B2 (0.60) CYP11B2CYP11B1KMT2A

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