SCHEMBL12396010

SCHEMBL12396010

Cc1ccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)sc2C(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
POLB P06746 3/20 0.60
MAPT P10636 2/20 0.60
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
PTPN1 P18031 2/20 0.52
HPGD P15428 1/20 0.50
P2RY14 Q15391 3/20 0.49
PTPRF P10586 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KCNMA1 Q12791 1/20 0.46

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
SCHEMBL12396015 0.90 POLB (0.73) MEN1KMT2APOLBMAPTCRHBP
SCHEMBL2157985 0.86 POLB (0.67) MEN1KMT2APOLBMAPTCRHBP
SCHEMBL12396019 0.84 PTPN1 (0.64) MEN1KMT2APOLBMAPTCRHBP
SCHEMBL12396017 0.82 MEN1 (0.54) MEN1KMT2APOLBMAPTCRHBP
SCHEMBL12396099 0.80 DYRK1A (0.54) MEN1KMT2APOLBMAPTCRHBP
SCHEMBL12396020 0.80 KDM4E (0.53) MEN1KMT2APOLBMAPTCRHBP
SCHEMBL12396100 0.78 KMT2A (0.52) MEN1KMT2APOLBMAPTCRHBP
SCHEMBL16303152 0.78 POLB (0.72) MEN1KMT2APOLBMAPTCRHBP
SCHEMBL3082800 0.78 IKBKB (0.58) MEN1KMT2APOLBMAPTCRHBP
SCHEMBL12396006 0.76 NPC1 (0.56) MEN1KMT2APOLBMAPTCRHBP

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-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