SCHEMBL798650

SCHEMBL798650

O=CNc1ccc2ccccc2c1NC=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.47
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP2A6 P11509 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ERN1 O75460 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
HPRT1 P00492 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PAX8 Q06710 1/20 0.36
G6PD P11413 1/20 0.36
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
GAA P10253 1/20 0.35
HCRTR1 O43613 1/20 0.35
KEAP1 Q14145 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
SCHEMBL798498 0.84 PABPC1 (0.40) PABPC1ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL3316354 0.79 PTPN22 (0.48) PABPC1ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL14937490 0.79 TSHR (0.48) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL87813 0.78 PABPC1 (0.56) PABPC1ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL11537315 0.77 PABPC1 (0.64) PABPC1ALDH1A1TSHRTDP1KDM4E
Hydrochloric Acid SCHEMBL28740125 0.76 PABPC1 (0.55) PABPC1ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL28218656 0.76 PABPC1 (0.55) PABPC1ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL17054695 0.76 HPRT1 (0.52) PABPC1ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL28302015 0.75 WDR5 (0.56) ALDH1A1HSD17B10TDP1KDM4ENPC1
SCHEMBL6860500 0.74 ALDH1A1 (0.52) PABPC1ALDH1A1TSHRCYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673998-B2 Polymer compositions with improved cold flow BRIDGESTONE CORPORATION (JP) 2014-03-18 US claimed
US-20120071583-A1 POLYMER COMPOSITIONS WITH IMPROVED COLD FLOW BRIDGESTONE CORPORATION (JP) 2012-03-22 US claimed
US-8673998-B2 Polymer compositions with improved cold flow BRIDGESTONE CORPORATION (JP) 2014-03-18 US disclosed
US-20120071583-A1 POLYMER COMPOSITIONS WITH IMPROVED COLD FLOW BRIDGESTONE CORPORATION (JP) 2012-03-22 US disclosed