SCHEMBL8195937

SCHEMBL8195937

O=C(c1cccc(Br)c1)c1ccc(C(F)(F)F)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
PARP1 P09874 1/20 0.41
CNR2 P34972 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GRIK1 P39086 1/20 0.40
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LTC4S Q16873 1/20 0.38
SRD5A2 P31213 1/20 0.38

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
SCHEMBL8198322 0.86 LMNA (0.44) MAPTKMT2AGAAFLT1FLT4
SCHEMBL1513035 0.83 GLA (0.44) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL27499836 0.81 GRM5 (0.50) MAPTMEN1KMT2AGAATDP1
SCHEMBL8193874 0.80 MEN1 (0.39) MAPTMEN1KMT2AGAATDP1
SCHEMBL8193355 0.80 TSHR (0.45) MAPTMEN1KMT2AGAATDP1
SCHEMBL10323541 0.75 MAPT (0.43) MAPTMEN1KMT2AGAATDP1
SCHEMBL165279 0.73 KEAP1 (0.46) ALDH1A1NPC1RAB9ASMO
SCHEMBL30586206 0.73 KEAP1 (0.46) ALDH1A1NPC1RAB9ASMO
SCHEMBL30489829 0.73 SMO (0.39) GAAFLT1FLT4KDRNPC1
SCHEMBL3663477 0.73 SMO (0.39) GAAFLT1FLT4KDRNPC1

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-6136810-A DRUGS AS ENZYME INHIBITORS OF PHOSPHODIESTERASE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0885894-A1 PYRIDO [2,3-D] PYRIMIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-12-23 EP disclosed