SCHEMBL28047740

SCHEMBL28047740

OCc1cccc(-c2cnon2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.49
FYN P06241 13/20 0.47
CDK8 P49336 1/20 0.44
ATR Q13535 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
CHEK1 O14757 1/20 0.40
CHEK2 O96017 1/20 0.40

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
SCHEMBL28047865 0.83 IDO1 (0.36) PRKCIFYNCDK8
SCHEMBL352651 0.83 CYP4F2 (0.40) PRKCIFYNCDK8
SCHEMBL4830146 0.77 HSD17B1 (0.58) FYNCHEK1
SCHEMBL5668347 0.75 PRKCI (0.50) PRKCIFYNCDK8ATRCHRNB4
SCHEMBL6948234 0.74 METAP2 (0.50)
SCHEMBL4013546 0.74 IDO1 (0.50)
SCHEMBL1031072 0.74 IDO1 (0.50)
SCHEMBL4191589 0.73 PRKCI (0.72) PRKCIFYNCDK8CHRNB4CHRNA3
SCHEMBL1520375 0.72 RAB9A (0.43)
SCHEMBL18297788 0.71 PRKCI (0.76) PRKCIFYNCDK8CHRNB4CHRNA3

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
CN-105189446-A Phloroglucinol derivatives and application thereof in treatment of neurodegenerative disorder INST MATERIA MEDICA CAMS 2015-12-23 CN disclosed