SCHEMBL18209596

SCHEMBL18209596

Cc1cccc(N)c1C(=O)OC(=O)c1c(C)cccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.45
ALDH1A1 P00352 7/20 0.42
HSD17B10 Q99714 4/20 0.42
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 2/20 0.41
CFTR P13569 1/20 0.41
TSHR P16473 1/20 0.39
PIK3CA P42336 1/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
MYC P01106 1/20 0.35
DPP4 P27487 1/20 0.35

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
SCHEMBL28045567 0.91 CD44 (0.41) CD44ALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL18209597 0.90 TSHR (0.43) CD44ALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL10434371 0.88 ALDH1A1 (0.41) CD44ALDH1A1HSD17B10CYP3A4CFTR
SCHEMBL543900 0.86 CA12 (0.53) CD44ALDH1A1HSD17B10CYP3A4CFTR
SCHEMBL6113403 0.85 CA12 (0.43) ALDH1A1HSD17B10TDP1CA12CA1
SCHEMBL17343648 0.84 TDP1 (0.59) ALDH1A1HSD17B10TDP1CYP3A4TSHR
SCHEMBL2405060 0.83 CA12 (0.59) ALDH1A1HSD17B10TDP1CYP3A4TSHR
SCHEMBL24730943 0.82 CA12 (0.58) CD44ALDH1A1HSD17B10CA12CA1
SCHEMBL4058388 0.79 CD44 (0.48) CD44ALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL30590428 0.79 CD44 (0.48) CD44ALDH1A1HSD17B10TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273819-A1 THERMAL ENERGY STORAGE PHASE AND TEMPERATURE STABILIZATION CHANGE MATERIALS COMPRISING TRIAMINES AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS LLC (US) 2018-09-27 US claimed
WO-2016179028-A1 THERMAL ENERGY STORAGE PHASE AND TEMPERATURE STABILIZATION CHANGE MATERIALS AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS, LLC. (US) 2016-11-10 WO claimed
WO-2025015175-A2 HEATING, VENTILATION, AND AIR CONDITIONING (HVAC) SYSTEMS AND METHODS FOR USING SAME STASIS ENERGY GROUP, LLC (US) 2025-01-16 WO disclosed
US-20180273819-A1 THERMAL ENERGY STORAGE PHASE AND TEMPERATURE STABILIZATION CHANGE MATERIALS COMPRISING TRIAMINES AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS LLC (US) 2018-09-27 US disclosed
WO-2016179028-A1 THERMAL ENERGY STORAGE PHASE AND TEMPERATURE STABILIZATION CHANGE MATERIALS AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS, LLC. (US) 2016-11-10 WO disclosed