SCHEMBL7815436

SCHEMBL7815436

ONCCCCCCCCCCCCn1c(-c2cccnc2)cc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
TBXAS1 P24557 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MGLL Q99685 2/20 0.40
GBA1 P04062 1/20 0.40
KMT2A Q03164 1/20 0.39
NTRK1 P04629 1/20 0.39
FYN P06241 1/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 3/20 0.39
MAOB P27338 3/20 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
SCHEMBL7809850 0.87 MAPT (0.51) ALDH1A1MTNR1AMTNR1BTBXAS1L3MBTL1
SCHEMBL7811371 0.81 ALDH1A1 (0.51) ALDH1A1MTNR1AMTNR1BL3MBTL1KMT2A
SCHEMBL7803269 0.78 ALDH1A1 (0.45) ALDH1A1MTNR1AMTNR1BTBXAS1L3MBTL1
SCHEMBL7811788 0.78 ALDH1A1 (0.45) ALDH1A1MTNR1AMTNR1BTBXAS1L3MBTL1
SCHEMBL7809757 0.78 ALDH1A1 (0.45) ALDH1A1MTNR1AMTNR1BTBXAS1L3MBTL1
SCHEMBL7811305 0.78 ALDH1A1 (0.45) ALDH1A1MTNR1AMTNR1BTBXAS1L3MBTL1
SCHEMBL21244819 0.78 HDAC3 (0.54)
SCHEMBL7815552 0.77 ALDH1A1 (0.46) ALDH1A1MTNR1AMTNR1BTBXAS1L3MBTL1
SCHEMBL21245925 0.77 MTNR1A (0.53) ALDH1A1MTNR1AMTNR1BL3MBTL1KMT2A
SCHEMBL11035940 0.76 CYP11B1 (0.49) ALDH1A1MTNR1AMTNR1BL3MBTL1KMT2A

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