SCHEMBL22845777

SCHEMBL22845777

O=C(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 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 16/20 0.49
OPRD1 P41143 5/20 0.47
SIGMAR1 Q99720 3/20 0.47
KCNH2 Q12809 1/20 0.45
NOTUM Q6P988 2/20 0.43
PRSS12 P56730 1/20 0.43
TMEM97 Q5BJF2 2/20 0.42
TSPO P30536 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
LDHA P00338 1/20 0.42

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
SCHEMBL29530726 1.00 P2RY14 (0.49) P2RY14OPRD1SIGMAR1KCNH2NOTUM
SCHEMBL22833946 0.92 P2RY14 (0.50) P2RY14OPRD1SIGMAR1KCNH2NOTUM
SCHEMBL22833936 0.89 PRSS12 (0.46) P2RY14OPRD1SIGMAR1NOTUMPRSS12
SCHEMBL22834185 0.89 RXRA (0.48) P2RY14OPRD1SIGMAR1NOTUMPRSS12
SCHEMBL22833959 0.88 P2RY14 (0.61) P2RY14OPRD1SIGMAR1KCNH2PRSS12
SCHEMBL22833942 0.87 P2RY14 (0.41) P2RY14OPRD1SIGMAR1KCNH2NOTUM
SCHEMBL21121983 0.86 P2RY14 (0.47) P2RY14OPRD1SIGMAR1KCNH2NOTUM
SCHEMBL22846402 0.86 P2RY14 (0.50) P2RY14OPRD1SIGMAR1NOTUMPRSS12
SCHEMBL22846017 0.86 TRPC1 (0.51) P2RY14OPRD1SIGMAR1NOTUMPRSS12
SCHEMBL29530851 0.86 P2RY14 (0.50) P2RY14OPRD1SIGMAR1NOTUMPRSS12

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