SCHEMBL7963845

SCHEMBL7963845

Cc1c(CSc2nc3ccccc3s2)cccc1OCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.50
RAB9A P51151 6/20 0.49
NPC1 O15118 4/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 10/20 0.47
MAPT P10636 8/20 0.47
HSD17B10 Q99714 5/20 0.47
MAPK1 P28482 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 1/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 6/20 0.45
ELANE P08246 1/20 0.45
LMNA P02545 4/20 0.44
KDM4E B2RXH2 4/20 0.44

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
SCHEMBL9353714 0.77 PTGS2 (0.65) PTGS2RAB9ANPC1KMT2AMEN1
SCHEMBL7964060 0.76 SMN1; SMN2 (0.62) PTGS2RAB9ANPC1KMT2AMEN1
SCHEMBL7977647 0.76 PTGS2 (0.50) PTGS2RAB9ANPC1KMT2AMEN1
SCHEMBL9357732 0.75 RAB9A (0.63) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL9357780 0.72 NPC1 (0.61) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL141138 0.71 ALDH1A1 (0.70) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL10989220 0.71 CYP1A2 (0.67) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL9353573 0.70 RAB9A (0.71) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL9357828 0.70 MGAM (0.65) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL9353568 0.70 ALDH1A1 (0.65) RAB9ANPC1KMT2AMEN1ALDH1A1

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
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO claimed
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed