SCHEMBL8318915

SCHEMBL8318915

CCOc1ccc(C(=O)Nc2cccnc2)c2c3c(oc12)CCCC3

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.50
RAB9A P51151 6/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 1/20 0.50
TP53 P04637 1/20 0.49
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
SGMS2 Q8NHU3 4/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.43
LRRK2 Q5S007 1/20 0.43
NAMPT P43490 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
SCHEMBL8326243 0.88 PDE4A (0.51) NPC1RAB9AALDH1A1LMNANPSR1
SCHEMBL8325539 0.85 ALDH1A1 (0.50) NPC1RAB9AALDH1A1LMNANPSR1
SCHEMBL8325509 0.78 GAA (0.49) NPC1RAB9AALDH1A1LMNANPSR1
SCHEMBL6921360 0.77 ALDH1A1 (0.43) ALDH1A1LMNAMAPK1TP53MAPT
SCHEMBL8324668 0.77 PDE4A (0.59) NPC1RAB9AALDH1A1LMNANPSR1
SCHEMBL8327267 0.76 PDE4A (0.42) LMNAMAPK1SMN1; SMN2
SCHEMBL8318940 0.76 PDE4A (0.58) NPC1RAB9AALDH1A1LMNANPSR1
SCHEMBL8324231 0.76 ALDH1A1 (0.43) NPC1RAB9AALDH1A1MAPK1TP53
SCHEMBL6778380 0.73 SGMS2 (0.76) ALDH1A1MAPK1SGMS2
SCHEMBL8324421 0.73 PDE4D (0.44) MAPK1MAPTSMN1; SMN2TSHRKDM4E

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
WO-2004069831-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-08-19 WO disclosed