SCHEMBL2668583

SCHEMBL2668583

COC(=O)CCSc1ccc(N)c(Oc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.42
▸ BCL2A1 Q16548 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ TTR P02766 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ LMNA P02545 4/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL2668579 0.82 ATM (0.39) ATMCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2667557 0.79 ATM (0.39) ATMKDM4EHSD17B10LMNARAB9A
SCHEMBL28897181 0.75 CYP1A2 (0.59) ATMMAPK1L3MBTL1CYP1A2CYP3A4
SCHEMBL3106153 0.74 PKM (0.42) MAPK1L3MBTL1CYP1A2CYP3A4CYP2C19
SCHEMBL23226196 0.73 MTNR1A (0.66) ATMTHRBL3MBTL1MTNR1AMTNR1B
SCHEMBL22614919 0.72 HTT (0.48) ATMMAPK1L3MBTL1CYP1A2CYP3A4
SCHEMBL19990144 0.72 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19NPC1GAA
SCHEMBL9072456 0.71 CXCR1 (0.45) L3MBTL1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10588609 0.71 LMNA (0.47) MAPK1KDM4EHSD17B10MTNR1AMTNR1B
SCHEMBL23406153 0.71 TDP1 (0.46) LMNACASP3SENP8SENP7SENP6

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-2007117381-A9 2 -AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2008-03-27 — — WO disclosed
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