SCHEMBL11114793

SCHEMBL11114793

O=Cc1cc(Sc2cccnc2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 16/20 0.58
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
IDO1 P14902 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37

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
SCHEMBL3899644 0.82 ERN1 (0.55) ERN1TRIM24TRIM33
SCHEMBL7542850 0.81 BCL2 (0.50) ERN1TRIM24TRIM33
SCHEMBL3902703 0.76 NR1H2 (0.52) ERN1TRIM24TRIM33
SCHEMBL6644954 0.74 ERN1 (1.00) ERN1
SCHEMBL29396037 0.74 ERN1 (1.00) ERN1
SCHEMBL9548473 0.73 CYP2A6 (0.50) KDM4E
SCHEMBL11111047 0.72 NR1H2 (0.56) KDM4ERAB9AKMT2A
SCHEMBL6166029 0.71 ERN1 (0.58) ERN1
SCHEMBL11111298 0.71 ERN1 (0.58) ERN1
SCHEMBL16584979 0.70 MAOA (0.47) ERN1

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-4455427-A THROMBOXANE INHIBITORS THE UPJOHN COMPANY (US) 1984-06-19 US disclosed
EP-0069521-A2 Pyridinyl and imidazolyl derivatives of benzofurans and benzothiophenes THE UPJOHN COMPANY (US) 1983-01-12 EP disclosed