SCHEMBL26106901

SCHEMBL26106901

COC(=O)c1cc(OC)c(Oc2ccccc2F)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
GRM4 Q14833 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
PDE5A O76074 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
GABRA1 P14867 1/20 0.43
HPGD P15428 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
CYP2C19 P33261 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL30440180 0.81 TRPC6 (0.56) ALDH1A1CYP1A2MAPTHPGDCYP2C19
SCHEMBL21045812 0.81 TRPC6 (0.56) ALDH1A1CYP1A2MAPTHPGDCYP2C19
SCHEMBL14659263 0.78 MEN1 (0.48) KDM4EGABRPGABRDPDE5AALDH1A1
SCHEMBL21045835 0.75 TRPC6 (0.55) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL30439720 0.75 TRPC6 (0.55) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL5806655 0.75 TRPC6 (0.53) KDM4ELMNACYP1A2CYP3A4MAPT
SCHEMBL21633979 0.74 EPAS1 (0.43) MAPTPKMMAPK1
SCHEMBL21274211 0.73 SLC6A4 (0.48) ALDH1A1HPGDHIF1ANPC1SMN1; SMN2
SCHEMBL30803664 0.73 SLC6A4 (0.48) ALDH1A1HPGDHIF1ANPC1SMN1; SMN2
SCHEMBL21045659 0.73 TRPC6 (0.48) KDM4EGABRPGABRDPDE5AALDH1A1

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
US-RE49699-E1 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-17 US disclosed