SCHEMBL8774078

SCHEMBL8774078

CCCOc1ccc(CCc2cnc(Cl)c(Cl)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 5/20 0.43
HTT P42858 4/20 0.43
CSNK2A1 P68400 2/20 0.43
MAPT P10636 2/20 0.43
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
ALDH1A1 P00352 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
HSD17B10 Q99714 2/20 0.41
DHFR P00374 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 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
SCHEMBL8774856 0.94 SMN1; SMN2 (0.47) LMNAL3MBTL1SMN1; SMN2MAPTALDH1A1
SCHEMBL8774425 0.92 RAB9A (0.46) LMNAL3MBTL1SMN1; SMN2MAPTALDH1A1
SCHEMBL8774190 0.88 ALDH1A1 (0.51) LMNAL3MBTL1SMN1; SMN2MAPTSLC5A1
SCHEMBL8774683 0.84 RAB9A (0.40) SMN1; SMN2CSNK2A1MAPTALDH1A1NPSR1
SCHEMBL1007733 0.82 LMNA (0.42) LMNAL3MBTL1SMN1; SMN2HTTCSNK2A1
SCHEMBL8774663 0.81 SMN1; SMN2 (0.45) LMNAL3MBTL1SMN1; SMN2MAPTALDH1A1
SCHEMBL8774499 0.81 TAAR1 (0.39) LMNAL3MBTL1SMN1; SMN2MAPTALDH1A1
SCHEMBL9154059 0.80 LMNA (0.50) LMNAL3MBTL1SMN1; SMN2HTTMAPT
SCHEMBL8774662 0.80 RAB9A (0.46) LMNAL3MBTL1SMN1; SMN2MAPTALDH1A1
SCHEMBL8774496 0.79 RAB9A (0.49) LMNAL3MBTL1SMN1; SMN2MAPTALDH1A1

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-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed