SCHEMBL4056294

SCHEMBL4056294

COc1cccc2c1OC(=O)c1ncccc1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 2/20 0.35
S100A4 P26447 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
PADI1 Q9ULC6 1/20 0.35
PADI3 Q9ULW8 1/20 0.35
PADI4 Q9UM07 1/20 0.35
PADI2 Q9Y2J8 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
CYP19A1 P11511 2/20 0.34

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
SCHEMBL4054428 0.82 CDC25B (0.37) MEN1KMT2AS100A4HKDC1PADI1
SCHEMBL4051989 0.78 ALDH1A1 (0.41) MAPTKDM4EMEN1KMT2AHPGD
SCHEMBL10027992 0.76 CYP19A1 (0.42) LMNAMAPTMEN1NPC1RAB9A
SCHEMBL4140771 0.76 CA12 (0.54) MAPTCA12CA9KDM4EMEN1
SCHEMBL10701726 0.74 PDE10A (0.43) LMNAMAPTPOLBMEN1NPC1
SCHEMBL11273607 0.72 KDM4E (0.44) MAPTKDM4E
SCHEMBL2197993 0.71 MAOA (0.53) MEN1KMT2AS100A4
SCHEMBL5758407 0.71 MAOB (0.53) MAPTCA12CA9KDM4EMEN1
SCHEMBL10702167 0.70 DRD2 (0.36) LMNACYP19A1AADAT
SCHEMBL10699647 0.70 LMNA (0.36) LMNAMAPTTP53KDM4EHPGD

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
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
EP-0270692-A1 ANTIARRHYTHMIC AGENT KYOWA HAKKO KOGYO CO., LTD. (JP) 1988-06-15 EP disclosed