SCHEMBL30839716

SCHEMBL30839716

Cc1cccc(N)c1-c1c(C)cccc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.65
CYP3A4 P08684 5/20 0.60
TDP1 Q9NUW8 3/20 0.60
TSHR P16473 4/20 0.58
PIK3CA P42336 1/20 0.58
DPP4 P27487 1/20 0.50
ALDH1A1 P00352 5/20 0.46
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACHE P22303 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 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
SCHEMBL3462069 1.00 CD44 (0.65) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL16497559 0.91 CD44 (0.62) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL25011940 0.84 CD44 (0.54) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL3793739 0.82 CYP3A4 (0.54) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL9678804 0.82 CYP3A4 (0.54) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL3794845 0.82 ALDH1A1 (0.55) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL20421691 0.82 CD44 (0.46) CD44CYP3A4TDP1TSHRPIK3CA
Hydrochloric Acid SCHEMBL9312867 0.80 CYP3A4 (0.58) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL3786474 0.80 CYP3A4 (0.56) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL3790040 0.80 CD44 (0.62) CD44CYP3A4TDP1TSHRPIK3CA

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
EP-4594381-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE Ingevity UK Ltd (GB) 2025-08-06 EP claimed
WO-2024068129-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD. (GB) 2024-04-04 WO claimed
EP-4594381-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE Ingevity UK Ltd (GB) 2025-08-06 EP disclosed
WO-2024068129-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD. (GB) 2024-04-04 WO disclosed