SCHEMBL8401752

SCHEMBL8401752

C(=Nc1ccccc1)=Nc1ccccc1.Cc1ccccc1N=C=Nc1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.43
TSHR P16473 4/20 0.42
CYP3A4 P08684 3/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C9 P11712 1/20 0.38
ACHE P22303 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
SIGMAR1 Q99720 4/20 0.35
TRPA1 O75762 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
PABPC1 P11940 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL508210 1.00 MIF (0.43) MIFTSHRCYP3A4TP53MAPK1
SCHEMBL2047233 0.93 TSHR (0.47) MIFTSHRCYP3A4TP53MAPK1
SCHEMBL29516244 0.91 TSHR (0.47) TSHRCYP3A4TP53MAPK1SMN1; SMN2
SCHEMBL437747 0.91 TSHR (0.47) TSHRCYP3A4TP53MAPK1SMN1; SMN2
SCHEMBL287022 0.88 TSHR (0.43) TSHRCYP3A4TP53MAPK1SMN1; SMN2
SCHEMBL27841313 0.86 CYP3A4 (0.44) MIFTSHRCYP3A4TP53MAPK1
SCHEMBL18563045 0.83 CYP3A4 (0.54) MIFTSHRCYP3A4TP53MAPK1
SCHEMBL12589479 0.82 CYP3A4 (0.56) MIFTSHRCYP3A4TP53MAPK1
SCHEMBL18563044 0.82 CYP3A4 (0.56) MIFTSHRCYP3A4TP53MAPK1
SCHEMBL156948 0.81 MIF (0.60) MIFTSHRMAPK1TDP1TRPA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506983-B1 POLYESTER MONOFILAMENT TORAY INDUSTRIES (JP) 1999-06-16 EP disclosed
US-5378537-A Polyester monofilament TORAY INDUSTRIES, INC. (JP) 1995-01-03 US disclosed
EP-0506983-A1 POLYESTER MONOFILAMENT TORAY INDUSTRIES, INC. (JP) 1992-10-07 EP disclosed