SCHEMBL18535170

SCHEMBL18535170

CC(C)(C)OC(=O)Nc1ccc(OC(F)F)cc1C(=N)I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
TSHR P16473 1/20 0.43
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 3/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APLNR P35414 1/20 0.37
IDH1 O75874 1/20 0.37
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP17A1 P05093 1/20 0.36
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35

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
SCHEMBL18535060 0.82 RXFP1 (0.42) MAPTRXFP1POLBGAAKMT2A
SCHEMBL10194877 0.82 HPGD (0.44) MAPTRXFP1POLBGAAKMT2A
SCHEMBL7790613 0.81 CYP17A1 (0.49) MAPTTSHRRXFP1POLBGAA
SCHEMBL13578846 0.80 POLB (0.44) MAPTTSHRRXFP1POLBGAA
SCHEMBL5961882 0.80 AAK1 (0.43) MAPTRXFP1POLBGAALMNA
SCHEMBL4332370 0.74 ALDH1A1 (0.52) MAPTPOLBGAAKMT2AMEN1
SCHEMBL17295021 0.73 IGF2BP2 (0.46) RXFP1POLBGAALMNASMN1; SMN2
SCHEMBL687475 0.73 IGF2BP2 (0.58) MAPTRXFP1POLBGAALMNA
SCHEMBL17553623 0.72 SMN1; SMN2 (0.46) MAPTPOLBGAAKMT2AMEN1
SCHEMBL4395697 0.71 MAPT (0.56) MAPTPOLBKMT2AMEN1LMNA

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-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed