SCHEMBL7050133

SCHEMBL7050133

COc1cccc2cc(CC(C)(C)C)oc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 3/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
PKM P14618 1/20 0.50
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 4/20 0.48
ADORA3 P0DMS8 2/20 0.48
CYP2A6 P11509 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47

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
Water SCHEMBL7364487 0.97 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL7365590 0.85 CA12 (0.49) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL348215 0.82 LMNA (0.54) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL72493 0.81 LMNA (0.53) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL121110 0.81 LMNA (0.53) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL73352 0.81 LMNA (0.56) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL6606644 0.81 LMNA (0.53) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL11303560 0.78 LMNA (0.54) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL5723536 0.78 LMNA (0.50) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL73237 0.78 ALDH1A1 (0.52) NPC1RAB9AMAPTSMN1; SMN2KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901482-B1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-02 EP disclosed
EP-0901482-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-03-17 EP disclosed
EP-0873331-A1 BENZOFURAN CARBOXAMIDES AND SULPHONAMIDES Darwin Discovery Limited (GB) 1998-10-28 EP disclosed
WO-1997044337-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed
WO-1997020833-A1 BENZOFURAN CARBOXAMIDES AND SULPHONAMIDES DARWIN DISCOVERY LIMITED (GB) 1997-06-12 WO disclosed