SCHEMBL7939006

SCHEMBL7939006

Clc1ccc(Nc2nc(Cl)nc3c(Nc4ccc(Cl)cc4)nc(Cl)nc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR1I2 O75469 2/20 0.44
AHR P35869 2/20 0.44
NPY5R Q15761 1/20 0.44
PDE5A O76074 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
TRPA1 O75762 1/20 0.42
CRHR1 P34998 1/20 0.41
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
KDR P35968 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL7930912 0.83 MEN1 (0.59) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7930879 0.82 NPY5R (0.58) MAPTMEN1GAAKMT2ANPC1
SCHEMBL27248379 0.81 PRKD3 (0.55) MEN1KMT2ARAB9ASMN1; SMN2TTBK1
SCHEMBL4846337 0.79 TTBK1 (0.43) MEN1KMT2ATTBK1TTBK2MKNK1
SCHEMBL31086656 0.77 KMT2A (0.47) MAPTMEN1GAAKMT2ANPC1
SCHEMBL183098 0.76 YTHDC1 (0.64) NPC1CCNA2CDK2CCNA1CDK5
SCHEMBL13351818 0.74 KMT2A (0.51) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL8901627 0.74 NPY5R (0.72) MAPTMEN1GAAKMT2ANPC1
SCHEMBL3500246 0.74 NFKB1 (0.69) MAPTMEN1GAAKMT2ANPC1
SCHEMBL9390360 0.74 MAPT (0.69) MAPTMEN1KMT2ANPC1ALDH1A1

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
US-6232312-B1 ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER CELL PATHWAYS, INC. 2001-05-15 US disclosed