SCHEMBL4294442

SCHEMBL4294442

c1ccc(Nc2cc(Nc3ccccc3)c(Nc3ccccc3)nc2Nc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.48
ALDH1A1 P00352 9/20 0.47
TDP1 Q9NUW8 6/20 0.47
GAA P10253 4/20 0.47
ALOX15 P16050 3/20 0.47
HTT P42858 2/20 0.47
CYP3A4 P08684 4/20 0.47
HPGD P15428 3/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
CDC25B P30305 1/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 8/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
KDM4E B2RXH2 5/20 0.46
GLA P06280 2/20 0.46
ALPG P10696 1/20 0.46
RAB9A P51151 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL5080930 0.80 HSD17B10 (0.65) HSD17B10ALDH1A1TDP1GAAALOX15
SCHEMBL11578760 0.76 MAPT (0.52) HSD17B10ALDH1A1TDP1GAAALOX15
SCHEMBL25129316 0.74 ALDH1A1 (0.64) HSD17B10ALDH1A1TDP1GAAALOX15
Hydrochloric Acid SCHEMBL11580554 0.74 MAPT (0.50) HSD17B10ALDH1A1TDP1GAAALOX15
Hydrochloric Acid SCHEMBL11579145 0.74 MAPT (0.50) HSD17B10ALDH1A1TDP1GAAALOX15
SCHEMBL3766360 0.73 MAPT (0.64) HSD17B10ALDH1A1TDP1GAAALOX15
SCHEMBL13157161 0.73 KMT2A (0.50) HSD17B10ALDH1A1TDP1GAAALOX15
SCHEMBL4667117 0.72 MAPT (0.46) HSD17B10ALDH1A1TDP1GAAALOX15
SCHEMBL444976 0.72 MAPT (0.70) HSD17B10ALDH1A1TDP1GAAALOX15
SCHEMBL14315671 0.71 ALDH1A1 (0.67) HSD17B10ALDH1A1TDP1GAAALOX15

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-20090136706-A1 Multiaxial Fabric With Strain-Responsive Viscous Liquid Polymers DUPONT SAFETY & CONSTRUCTION, INC. 2009-05-28 US disclosed
WO-2006105080-A1 PROCESSES FOR INCREASING POLYMER INHERENT VISCOSITY E.I. DU PONT DE NEMOURS AND COMPANY (US) 2006-10-05 WO disclosed