SCHEMBL20764355

SCHEMBL20764355

Bc1ccc(NC(=O)c2ccc(-c3ccccc3F)s2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 8/20 0.79
▸ NPC1 O15118 5/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PPARG P37231 2/20 0.52
▸ NCOA2 Q15596 1/20 0.52
▸ NCOA1 Q15788 1/20 0.52
▸ NCOA3 Q9Y6Q9 1/20 0.52
▸ TP53 P04637 3/20 0.50
▸ RXFP1 Q9HBX9 2/20 0.50
▸ PTPN11 Q06124 2/20 0.49
▸ PTPN2 P17706 1/20 0.49
▸ PTPN1 P18031 1/20 0.48
▸ ESR1 P03372 1/20 0.47
▸ NR2E3 Q9Y5X4 1/20 0.46
▸ NCOR2 Q9Y618 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
SCHEMBL20764060 0.88 ESRRG (1.00) ESRRGNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL20764032 0.87 ESRRG (0.79) ESRRGNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22311822 0.85 ESRRG (0.77) ESRRGNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL20764033 0.84 ESRRG (0.74) ESRRGNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL20764054 0.79 ESRRG (0.66) ESRRGNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL20764261 0.78 ESRRG (0.78) ESRRGNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22311795 0.77 ESRRG (1.00) ESRRGNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31610027 0.75 ESRRG (0.70) ESRRGNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5844175 0.74 HPGD (0.66) ESRRGRAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL31337226 0.73 NPC1 (0.68) ESRRGNPC1RAB9ASMN1; SMN2MAPT

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-2019036562-A1 ERR INVERSE AGONISTS SAINT LOUIS UNIVERSITY (US) 2019-02-21 — — WO disclosed
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