SCHEMBL12289529

SCHEMBL12289529

COCCNc1ccc2nc(-c3ccc4nc(-c5ccccn5)[nH]c4c3)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.57
▸ RAB9A P51151 5/20 0.57
▸ RUNX1 Q01196 2/20 0.57
▸ CBFB Q13951 13/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ TP53 P04637 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ METAP2 P50579 5/20 0.52
▸ METAP1 P53582 3/20 0.52
▸ SYK P43405 1/20 0.52
▸ PKM P14618 3/20 0.51
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL14906659 0.95 NPC1 (0.54) NPC1RAB9ARUNX1CBFBKDM4E
SCHEMBL12287688 0.94 NPC1 (0.53) NPC1RAB9ARUNX1CBFBKDM4E
SCHEMBL14892659 0.90 NPC1 (0.49) NPC1RAB9ARUNX1CBFBKDM4E
SCHEMBL20362404 0.90 NPC1 (0.51) NPC1RAB9ARUNX1CBFBKDM4E
SCHEMBL14892431 0.84 NPC1 (0.46) NPC1RAB9ARUNX1CBFBKDM4E
SCHEMBL12289543 0.81 CBFB (0.50) NPC1RAB9ARUNX1CBFBKDM4E
SCHEMBL12287556 0.79 NPC1 (0.54) NPC1RAB9ARUNX1CBFBKDM4E
SCHEMBL13866538 0.77 NPC1 (0.74) NPC1RAB9ARUNX1CBFBKDM4E
SCHEMBL14892370 0.76 NPC1 (0.49) NPC1RAB9ARUNX1CBFBKDM4E
SCHEMBL12287509 0.75 CBFB (0.60) NPC1RAB9ARUNX1CBFBKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556058-B1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INST (AU) 2017-06-14 — — EP disclosed
WO-2011123890-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2011-10-13 — — WO disclosed
Send feedback