SCHEMBL1702268

SCHEMBL1702268

Cc1cc2c(cc1-c1cnc(C(N)=O)cn1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.38
TSHR P16473 1/20 0.38
CHEK1 O14757 1/20 0.37
CHEK2 O96017 1/20 0.37
GSK3B P49841 1/20 0.37
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36
CHRNA7 P36544 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34

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
SCHEMBL2544096 0.79 ALOX5AP (0.41) STIM1ORAI1GRIA2
SCHEMBL5299145 0.73 TSHR (0.49) SIRT6TSHRCHEK1CHEK2CHRNA7
SCHEMBL12156276 0.71 STIM1 (0.56) STIM1ORAI1RAB9ANPC1
SCHEMBL12241603 0.70 RAB9A (0.55) STIM1ORAI1KDM4ERAB9ANPC1
SCHEMBL12241607 0.70 RAB9A (0.42) STIM1ORAI1RAB9ANPC1PAX8
SCHEMBL12156265 0.70 STIM1 (0.34) STIM1ORAI1KDM4EHSD17B10RAB9A
SCHEMBL12156279 0.69 IL2 (0.56) STIM1ORAI1RAB9ANPC1
SCHEMBL12155896 0.69 STIM1 (0.60) STIM1ORAI1RAB9ANPC1
SCHEMBL12155878 0.69 RAB9A (0.47) STIM1ORAI1RAB9ANPC1
SCHEMBL1701208 0.69 ALOX5AP (0.38) RAB9A

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-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 WO disclosed