SCHEMBL9766637

SCHEMBL9766637

CCCCOc1ccc(CCc2ccc(Cl)nc2)cc1.CCCOc1ccc(CCc2ccc(Cl)nc2)cc1.CCOc1ccc(CCc2ccc(Cl)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 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
SCHEMBL9158938 0.93 RAB9A (0.50) RAB9AMAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL9154059 0.93 LMNA (0.50) RAB9AMAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL9155401 0.90 RAB9A (0.49) RAB9AMAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL9154338 0.90 RAB9A (0.50) RAB9AMAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL9766695 0.83 MAPT (0.52) RAB9AMAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL9875386 0.80 RAB9A (0.53) RAB9AMAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL9158922 0.80 NFKB1 (0.51) RAB9AMAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL10715445 0.80 RAB9A (0.52) RAB9AMAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL10714361 0.80 MAPT (0.48) RAB9AMAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL10715074 0.80 MAPT (0.48) RAB9AMAPTL3MBTL1SMN1; SMN2LMNA

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-0445248-A1 PYRIDINE DERIVATIVES. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed