SCHEMBL22846017

SCHEMBL22846017

CCOC(=O)c1cc(-c2cn(-c3ccc(C(=O)O)c(C(F)(F)F)c3)nn2)nc(-c2cn(-c3ccc(C(=O)O)c(C(F)(F)F)c3)nn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC1 P48995 3/20 0.51
TRPC3 Q13507 3/20 0.51
STIM1 Q13586 3/20 0.51
ORAI1 Q96D31 3/20 0.51
STIM2 Q9P246 1/20 0.51
NOTUM Q6P988 2/20 0.43
ESRRA P11474 1/20 0.41
RXRA P19793 4/20 0.40
GRIN1 Q05586 4/20 0.40
GRIN2B Q13224 4/20 0.40
P2RY14 Q15391 4/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PRSS12 P56730 1/20 0.39
AURKA O14965 2/20 0.39
AURKB Q96GD4 1/20 0.39
OPRD1 P41143 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL29530969 1.00 TRPC1 (0.51) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL22846560 0.93 TRPC1 (0.46) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL22845780 0.87 TRPC1 (0.45) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL29530958 0.87 TRPC1 (0.45) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL29530726 0.86 P2RY14 (0.49) NOTUMP2RY14PRSS12OPRD1SIGMAR1
SCHEMBL22845777 0.86 P2RY14 (0.49) NOTUMP2RY14PRSS12OPRD1SIGMAR1
SCHEMBL22833942 0.85 P2RY14 (0.41) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL29530717 0.85 NME4 (0.51) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL22833966 0.85 NME4 (0.51) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL21121983 0.84 P2RY14 (0.47) TRPC1TRPC3STIM1ORAI1STIM2

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-2020263703-A1 ENHANCEMENT OF NUCLEIC ACID POLYMERIZATION BY AROMATIC COMPOUNDS STRATOS GENOMICS, INC. (US) 2020-12-30 WO disclosed