SCHEMBL21622835

SCHEMBL21622835

Brc1ccc2sc3ccc(-c4ccc5oc6ccccc6c5c4)cc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TNKS O95271 1/20 0.42
▸ GABRP O00591 5/20 0.41
▸ GABRD O14764 5/20 0.41
▸ GABRA1 P14867 5/20 0.41
▸ GABRB1 P18505 5/20 0.41
▸ GABRG2 P18507 5/20 0.41
▸ GABRB3 P28472 5/20 0.41
▸ GABRA5 P31644 5/20 0.41
▸ GABRA3 P34903 5/20 0.41
▸ GABRA2 P47869 5/20 0.41
▸ GABRB2 P47870 5/20 0.41

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
SCHEMBL20277467 0.91 MAPT (0.50) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL25989887 0.90 GPR3 (0.38) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL2802294 0.89 MAPT (0.52) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL21431979 0.88 TNKS (0.42) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL20706688 0.88 MAPT (0.47) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL20706801 0.88 MAPT (0.47) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL20277487 0.88 MAPT (0.47) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL15836095 0.88 MAPT (0.47) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL20462459 0.87 MAPT (0.41) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL20821662 0.86 PLA2G2A (0.50) NPC1MAPTKDM4EMEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820965-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-01-25 — — EP disclosed
WO-2020011658-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-01-16 — — WO disclosed
Send feedback