SCHEMBL20680657

SCHEMBL20680657

Cc1cc(C)cc(Cn2cc3c(F)c(Br)ccc3n2)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
KMT2A Q03164 1/20 0.33
HDAC1 Q13547 1/20 0.32
RAB9A P51151 1/20 0.32
DUSP3 P51452 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KLKB1 P03952 1/20 0.30

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
SCHEMBL20680665 0.86 RIPK1 (0.32) HDAC1L3MBTL1HDAC6
SCHEMBL20719264 0.78 NPC1 (0.36) KMT2ARAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL20680673 0.73 HDAC6 (0.42) CYP11B1CYP11B2HDAC1RAB9ADUSP3
SCHEMBL25592850 0.73 KMT2A (0.43) KMT2AHDAC1RAB9ADUSP3SMN1; SMN2
SCHEMBL20680666 0.71 EIF2AK3 (0.44)
SCHEMBL21631668 0.70 MET (0.35) ALDH1A1
SCHEMBL31424377 0.69
SCHEMBL24879334 0.66 ADORA3 (0.42) RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL25592835 0.66 MEN1 (0.45) KMT2ARAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3222034 0.66 L3MBTL1 (0.49) CYP11B1CYP11B2KMT2ARAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019021208-A1 INDAZOLE DERIVATIVES USEFUL AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-31 WO disclosed