SCHEMBL11619972

SCHEMBL11619972

O=C1c2ccccc2C(=O)N1c1cc(Br)ccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.44
▸ NR1H3 Q13133 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ GRM1 Q13255 1/20 0.40
▸ GRM4 Q14833 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ PTPRC P08575 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ HCAR1 Q9BXC0 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NR1H2 P55055 1/20 0.36

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
SCHEMBL27826025 0.73 LMNA (0.55) NR1H3ESR1ESR2POLBCYP3A4
SCHEMBL20243060 0.73 HTT (0.40) CASP1NR1H3GRM1GRM4HTT
SCHEMBL5903053 0.73 NPC1 (0.51) GRM1GRM4ESR1ESR2POLB
SCHEMBL11620020 0.72 CYP3A4 (0.49) CASP1NR1H3GRM1GRM4POLB
SCHEMBL19766161 0.72 GRM1 (0.45) CASP1NR1H3GRM1GRM4HTT
SCHEMBL30946497 0.70 HCAR1 (0.37) CYP1A2MAPK1CYP3A4PMP22HCAR1
SCHEMBL15272283 0.70 NR1H3 (0.45) NR1H3ESR1ESR2POLBCYP3A4
SCHEMBL17028327 0.69 NR1H3 (0.44) CASP1NR1H3HTTSCN2AMEN1
SCHEMBL24425914 0.69 MEN1 (0.53) NR1H3ESR1ESR2SCN2AMEN1
SCHEMBL29906067 0.69 MEN1 (0.53) NR1H3ESR1ESR2SCN2AMEN1

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-4124375-A Substituted phthalimides for regulating the growth of plants MONSANTO COMPANY (US) 1978-11-07 — — US claimed
US-4124375-A Substituted phthalimides for regulating the growth of plants MONSANTO COMPANY (US) 1978-11-07 — — US disclosed
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