SCHEMBL30228288

SCHEMBL30228288

COCc1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CA12 O43570 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ ALOX5 P09917 3/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ HSD17B3 P37058 1/20 0.41
▸ AR P10275 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39

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
SCHEMBL30227943 0.84 CA12 (0.45) KDM4ESMN1; SMN2CA12CA9ALOX5
SCHEMBL30228052 0.84 CA12 (0.48) KDM4ESMN1; SMN2CA12CA9ALOX5
SCHEMBL30228086 0.84 CA12 (0.43) KDM4ESMN1; SMN2CA12CA9ALOX5
SCHEMBL30228122 0.81 HPGD (0.40) KDM4ESMN1; SMN2CA12CA9ALOX5
SCHEMBL30228226 0.80 CA12 (0.69) KDM4ECA12CA9HSD17B3ESR1
SCHEMBL30228096 0.80 CA12 (0.48) KDM4ECA12CA9MEN1KMT2A
SCHEMBL20839408 0.80 CA12 (0.69) KDM4ECA12CA9HSD17B3ESR1
SCHEMBL30228300 0.79 MEN1 (0.42) KDM4ESMN1; SMN2CA12CA9ALOX5
SCHEMBL30228049 0.78 PARP1 (0.45) KDM4ESMN1; SMN2CA12CA9AR
SCHEMBL30228177 0.78 KDM4E (0.49) KDM4ESMN1; SMN2CA12CA9HSD17B3

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-2023034346-A1 CHROMEN-2-ONE MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
Send feedback