SCHEMBL22146201

SCHEMBL22146201

CCn1ccc2scc(-c3ccc(Cl)c(Cl)c3)c2c1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
PRKCZ Q05513 3/20 0.40
TSHR P16473 1/20 0.40
GRM2 Q14416 7/20 0.38
EPHB4 P54760 1/20 0.38
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
AHR P35869 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
SCHEMBL22146147 0.85 EPHB4 (0.36) PKMPRKCZGRM2EPHB4LMNA
SCHEMBL22146208 0.82 TSHR (0.41) PKMTSHRGRM2EPHB4LMNA
SCHEMBL22146202 0.81 PKM (0.51) PKMTSHREPHB4LMNAPOLB
SCHEMBL21915123 0.79 GRIN2B (0.48) PRKCZTSHRL3MBTL1
SCHEMBL30219956 0.79 ALDH1A1 (0.40) PRKCZTSHRLMNAPOLBMEN1
SCHEMBL18965059 0.79 ALDH1A1 (0.40) PRKCZTSHRLMNAPOLBMEN1
SCHEMBL18965057 0.79 ALDH1A1 (0.38) PRKCZPOLB
SCHEMBL30220012 0.79 ALDH1A1 (0.38) PRKCZPOLB
SCHEMBL18964711 0.78 GRIN2B (0.40) PRKCZPOLBMEN1KMT2A
SCHEMBL30219973 0.78 GRIN2B (0.40) PRKCZPOLBMEN1KMT2A

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
EP-3386591-B1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF CADENT THERAPEUTICS INC (US) 2020-06-24 EP disclosed