SCHEMBL12396019

SCHEMBL12396019

Cc1ccc(C(=O)Nc2cc(-c3ccc(O)cc3)sc2C(=O)O)cc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.64
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
POLB P06746 2/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
HPGD P15428 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 1/20 0.52
PTPRF P10586 2/20 0.50
PTPRA P18433 2/20 0.50

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
SCHEMBL2157985 0.90 POLB (0.67) PTPN1MEN1KMT2AMAPTALDH1A1
SCHEMBL12396010 0.84 MEN1 (0.60) PTPN1MEN1KMT2AMAPTALDH1A1
SCHEMBL12396015 0.83 POLB (0.73) PTPN1MEN1KMT2AMAPTALDH1A1
SCHEMBL12396020 0.83 KDM4E (0.53) PTPN1MEN1KMT2AMAPTALDH1A1
SCHEMBL12396099 0.81 DYRK1A (0.54) PTPN1MEN1KMT2AMAPTPOLB
SCHEMBL12396100 0.79 KMT2A (0.52) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL16303152 0.79 POLB (0.72) PTPN1MEN1KMT2AMAPTPOLB
SCHEMBL6319544 0.79 PTPN1 (1.00) PTPN1MEN1KMT2AMAPTPOLB
SCHEMBL16425583 0.78 PTPN1 (0.49) PTPN1MEN1KMT2AMAPTALDH1A1
SCHEMBL12396006 0.77 NPC1 (0.56) PTPN1MEN1KMT2AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 EP disclosed