SCHEMBL882601

SCHEMBL882601

CCc1ccc2ccc(Nc3nc(-c4ccccc4)nc4ccccc34)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 17/20 0.60
▸ MAPT P10636 3/20 0.60
▸ TP53 P04637 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ ABCB1 P08183 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ ABCC1 P33527 1/20 0.59
▸ PDE4B Q07343 1/20 0.59
▸ PDE5A O76074 3/20 0.58
▸ GAA P10253 1/20 0.56
▸ KDM1A O60341 1/20 0.56

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
SCHEMBL4864882 0.87 ABCG2 (0.73) ABCG2MAPTTP53LMNAMEN1
SCHEMBL1083549 0.78 ABCG2 (0.66) ABCG2MAPTTP53LMNAMEN1
SCHEMBL14262925 0.77 ABCG2 (0.73) ABCG2MAPTTP53LMNASMN1; SMN2
SCHEMBL4866867 0.76 ABCG2 (0.63) ABCG2MAPTTP53LMNAMEN1
SCHEMBL1063103 0.76 ABCG2 (1.00) ABCG2MAPTTP53LMNAABCB1
SCHEMBL8095812 0.75 ABCG2 (1.00) ABCG2MAPTTP53LMNAABCB1
SCHEMBL1063729 0.75 PDE4B (0.71) ABCG2MAPTTP53LMNAMEN1
SCHEMBL13316097 0.75 ABCG2 (0.55) ABCG2MAPTTP53LMNAABCB1
SCHEMBL4868573 0.75 ABCG2 (1.00) ABCG2MAPTTP53LMNAMEN1
SCHEMBL22201447 0.75 HPGD (0.70) ABCG2MAPTLMNAABCB1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040499-A2 METABOLIC INHIBITORS SURFACE LOGIX, INC. (US) 2012-03-29 — — WO disclosed
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