SCHEMBL7184491

SCHEMBL7184491

Nc1ccc(Oc2ccc(N)c(Cl)c2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.53
CYP3A4 P08684 6/20 0.50
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL11460671 0.87 HTR2A (0.63) PDE7ACYP3A4TSHRHTR2ASLC6A4
SCHEMBL4318630 0.85 PDE7A (0.63) PDE7ACYP3A4TSHRALDH1A1HPGD
SCHEMBL13295195 0.85 PDE7A (0.49) PDE7ACYP3A4TSHRALDH1A1HPGD
SCHEMBL554722 0.81 MAOA (0.61) PDE7ACYP3A4TSHRALDH1A1HPGD
SCHEMBL29553590 0.81 MAOA (0.61) PDE7ACYP3A4TSHRALDH1A1HPGD
SCHEMBL7192417 0.81 MAOA (0.59) PDE7ACYP3A4TSHRALDH1A1HPGD
SCHEMBL1964539 0.80 CYP3A4 (0.56) PDE7ACYP3A4TSHRALDH1A1HPGD
SCHEMBL273483 0.80 NR4A1 (0.61) CYP3A4TSHRALDH1A1HPGDTHRB
SCHEMBL7187883 0.80 MAOB (0.55) PDE7ACYP3A4TSHRALDH1A1HTR2A
SCHEMBL1913888 0.79 LMNA (0.62) PDE7ACYP3A4ALDH1A1HTR2ASLC6A4

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-20030064235-A1 Optical members made of polymide resins MITSUI CHEMICALS, INC. (JP) 2003-04-03 US disclosed
EP-1237015-A1 OPTICAL MEMBERS MADE OF POLYIMIDE RESINS Mitsui Chemicals, Inc. (JP) 2002-09-04 EP disclosed