SCHEMBL6641747

SCHEMBL6641747

COc1cc(OC)c(NC(=O)c2ccc(Br)o2)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.64
▸ MAPT P10636 5/20 0.64
▸ NPC1 O15118 5/20 0.64
▸ RAB9A P51151 4/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ LMNA P02545 2/20 0.64
▸ PKM P14618 1/20 0.64
▸ GAA P10253 3/20 0.61
▸ KMT2A Q03164 5/20 0.60
▸ MEN1 O00255 4/20 0.60
▸ HPGD P15428 3/20 0.60
▸ HSD17B10 Q99714 3/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ KCNH2 Q12809 1/20 0.57
▸ TSHR P16473 4/20 0.54
▸ ATM Q13315 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ TP53 P04637 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL6666790 0.86 GAA (0.72) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6668012 0.79 FPR1 (0.50) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6640692 0.78 FPR1 (0.52) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2532969 0.78 RAB9A (0.72) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6642036 0.77 FPR1 (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6679959 0.76 ALDH1A1 (0.60) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL4862543 0.76 FPR1 (0.44) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5691252 0.76 RAB9A (0.71) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6673483 0.75 FPR1 (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6644551 0.75 FPR1 (0.52) ALDH1A1MAPTNPC1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401427-A4 NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM AGOURON PHARMA (US) 2004-12-01 — — EP disclosed
EP-1401427-A2 NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM Agouron Pharmaceuticals, Inc. (US) 2004-03-31 — — EP disclosed
WO-2002098363-A2 NON-PEPTIDE GnRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM AGOURON PHARMACEUTICALS, INC. (US) 2002-12-12 — — WO disclosed
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