SCHEMBL299473

SCHEMBL299473

c1ccc2oc(-c3csc(-c4ccc(-c5ccno5)s4)n3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.58
▸ MAPT P10636 8/20 0.51
▸ NPC1 O15118 7/20 0.51
▸ RAB9A P51151 7/20 0.51
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ ALDH1A1 P00352 7/20 0.45
▸ TP53 P04637 2/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ KDM4E B2RXH2 6/20 0.45
▸ NFKB1 P19838 4/20 0.45
▸ NFKB2 Q00653 4/20 0.45
▸ RELA Q04206 4/20 0.45
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL3071395 0.76 MAPT (0.64) CYP19A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21823774 0.74 CYP19A1 (0.69) CYP19A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5328162 0.69 NPC1 (1.00) CYP19A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL26744915 0.69 NPC1 (0.40) CYP19A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21823816 0.69 CYP19A1 (0.61) CYP19A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12647915 0.68 NPC1 (0.69) CYP19A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14936927 0.67 MAPT (0.62) CYP19A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21823776 0.66 CYP19A1 (0.57) CYP19A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21823820 0.65 CYP19A1 (0.56) CYP19A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21823783 0.65 CYP19A1 (0.56) CYP19A1MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 — — EP claimed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 — — WO claimed
EP-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 — — EP disclosed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 — — WO disclosed
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