SCHEMBL28185587

SCHEMBL28185587

CONc1ncnc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.59
▸ RAB9A P51151 5/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ HTT P42858 2/20 0.56
▸ EGFR P00533 5/20 0.56
▸ ABCG2 Q9UNQ0 4/20 0.56
▸ MAP4K4 O95819 2/20 0.56
▸ LTK P29376 2/20 0.56
▸ MAPK8 P45983 2/20 0.56
▸ LIMK1 P53667 2/20 0.56
▸ ACVR1 Q04771 2/20 0.56
▸ DYRK1A Q13627 2/20 0.56
▸ MAPK14 Q16539 2/20 0.56
▸ LRRK2 Q5S007 2/20 0.56
▸ AURKB Q96GD4 2/20 0.56
▸ CLK4 Q9HAZ1 2/20 0.56
▸ DYRK1B Q9Y463 2/20 0.56
▸ DAPK3 O43293 1/20 0.56
▸ ABL1 P00519 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
SCHEMBL883724 0.79 EGFR (0.61) LDHARAB9ASMN1; SMN2NPC1HTT
SCHEMBL8976752 0.78 EGFR (0.78) RAB9ASMN1; SMN2NPC1HTTEGFR
SCHEMBL11246544 0.75 LDHA (1.00) LDHARAB9ASMN1; SMN2HTTEGFR
SCHEMBL18552030 0.75 EGFR (0.61) LDHARAB9ASMN1; SMN2NPC1HTT
SCHEMBL3874722 0.75 EGFR (0.61) LDHARAB9ASMN1; SMN2NPC1HTT
SCHEMBL30317647 0.75 EGFR (0.61) LDHARAB9ASMN1; SMN2NPC1HTT
SCHEMBL15889088 0.74 GALR3 (0.71) LDHARAB9ASMN1; SMN2NPC1HTT
SCHEMBL30117681 0.74 GALR3 (0.71) LDHARAB9ASMN1; SMN2NPC1HTT
SCHEMBL19728993 0.74 CYP1A2 (0.69) LDHARAB9ASMN1; SMN2NPC1EGFR
SCHEMBL10061697 0.74 SMN1; SMN2 (0.67) LDHARAB9ASMN1; SMN2HTTEGFR

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
CN-110115365-A The adjusting that actinism receptor and relative ligand are carried out 西诺米克斯公司 2019-08-13 — — CN disclosed
CN-101779124-B Modulation of chemosensory receptors and ligands associated therewith 西诺米克斯公司 2017-12-12 — — CN disclosed
CN-107365319-A The regulation carried out to actinism acceptor and relative part 西诺米克斯公司 2017-11-21 — — CN disclosed
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