SCHEMBL6600638

SCHEMBL6600638

c1ccc(-c2cc(-c3cnc4ccccc4c3)[nH]n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.63
POLB P06746 1/20 0.62
RAB9A P51151 1/20 0.62
CYP2A6 P11509 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
BIRC5 O15392 1/20 0.48
ALOX15 P16050 1/20 0.48
PDGFRB P09619 2/20 0.47
PDGFRA P16234 2/20 0.47
COMT P21964 1/20 0.47
TOP2A P11388 1/20 0.46
TOP2B Q02880 1/20 0.46
NISCH Q9Y2I1 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
MTOR P42345 1/20 0.44

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
SCHEMBL15074578 0.94 HPGDS (0.68) HPGDSPOLBRAB9ACYP2A6ADORA3
SCHEMBL2837433 0.81 HPGDS (0.87) HPGDSPOLBRAB9AADORA3ALOX15
SCHEMBL1230353 0.78 RAB9A (1.00) HPGDSPOLBRAB9AADORA3ALOX15
SCHEMBL15074574 0.78 HPGDS (0.48) HPGDSPOLBRAB9ACYP2A6BIRC5
SCHEMBL2838459 0.78 HPGDS (1.00) HPGDSPOLBRAB9AADORA3ALOX15
SCHEMBL2662870 0.78 RAB9A (0.70) HPGDSPOLBRAB9AADORA3ALOX15
SCHEMBL15070812 0.77 L3MBTL1 (0.57) RAB9ACYP2A6BIRC5PDGFRBPDGFRA
SCHEMBL1854414 0.77 PDGFRB (0.49) HPGDSPOLBCYP2A6BIRC5PDGFRB
SCHEMBL708999 0.76 PDGFRB (0.75) RAB9ACYP2A6BIRC5PDGFRBPDGFRA
SCHEMBL17279801 0.76 RAB9A (0.96) HPGDSPOLBRAB9AADORA3ALOX15

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-1373263-B1 HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS TORRENT PHARMACEUTICALS LTD (IN) 2004-10-27 EP claimed
CN-1259316-C Heterocyclic compounds for age-related and diabetic vascular system complications TORRENTAU PHARMACEUTICAL LTD (IN) 2006-06-14 CN disclosed
CN-1498217-A Heterocyclic compounds for aging-related and diabetic vascular complications ������˹ҩƷ��˾ 2004-05-19 CN disclosed