SCHEMBL6886098

SCHEMBL6886098

CC(=O)Oc1cnc(Cc2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)nc1N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
THPO P40225 1/20 0.46
NPC1 O15118 1/20 0.46
GMNN O75496 1/20 0.46
ALDH1A1 P00352 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 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
SCHEMBL6017027 0.84 TBXA2R (0.48) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL1654173 0.83 PTGDR2 (0.51) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL1654175 0.83 PTGDR2 (0.51) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL1012449 0.79 PTGDR2 (0.58) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL1009852 0.79 PTGDR2 (0.58) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL6016813 0.78 EGFR (0.46) RAB9AMMP1MMP2MMP9EGFR
SCHEMBL2008263 0.77 PTGDR2 (0.56) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL2008264 0.77 PTGDR2 (0.56) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL6016918 0.77 EGFR (0.38) KMT2ALMNASMN1; SMN2RAB9ANPC1
SCHEMBL27634913 0.75 MTOR (0.47) TSHRALDH1A1NPSR1PTGDR2CA12

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
EP-1471057-A1 Pyrimidinylacetic acid derivatives useful for the treatment of diseases mediated by CRTH2 Bayer HealthCare AG (DE) 2004-10-27 EP claimed