SCHEMBL2430633

SCHEMBL2430633

Fc1ccc2nc(-c3ccc(-c4cc[nH]n4)cc3)cn2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.59
ALDH1A3 P47895 8/20 0.55
CYP11B1 P15538 3/20 0.51
CYP11B2 P19099 3/20 0.51
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
CLK1 P49759 1/20 0.48
DYRK1A Q13627 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PAX8 Q06710 2/20 0.47
MEN1 O00255 1/20 0.47
MITF O75030 1/20 0.47
KDM5A P29375 1/20 0.47
KDM5C P41229 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A2 O94788 1/20 0.46
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL22906630 0.84 APP (0.73) APPALDH1A3CYP11B1CYP11B2NPC1
SCHEMBL2430718 0.82 APP (0.59) APPALDH1A3NPC1RAB9AALDH1A1
SCHEMBL21708014 0.80 ALDH1A3 (0.82) APPALDH1A3CYP11B1CYP11B2NPC1
SCHEMBL1691421 0.78 NPC1 (0.75) APPALDH1A3CYP11B1CYP11B2NPC1
SCHEMBL2258357 0.78 NPC1 (0.66) APPALDH1A3CYP11B1CYP11B2NPC1
SCHEMBL1983592 0.78 APP (0.66) APPALDH1A3CYP11B1CYP11B2NPC1
SCHEMBL29438982 0.78 ALDH1A3 (0.79) APPALDH1A3CYP11B1CYP11B2NPC1
SCHEMBL2427073 0.78 RAB9A (0.63) ALDH1A3NPC1RAB9ACLK1DYRK1A
SCHEMBL12380446 0.78 ALDH1A3 (0.75) APPALDH1A3CYP11B1CYP11B2NPC1
SCHEMBL989177 0.77 CA12 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2MEN1

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-1956013-B1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION FUJIFILM RI PHARMA CO LTD (JP) 2016-04-13 EP claimed
EP-1956013-B1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION FUJIFILM RI PHARMA CO LTD (JP) 2016-04-13 EP disclosed
US-8022075-B2 Diagnostic and remedy for disease caused by amyloid aggregation and/or deposition FUJIFILM RI PHARMA CO., LTD. (JP) 2011-09-20 US disclosed