SCHEMBL30839717

SCHEMBL30839717

Cc1cc(N)ccc1-c1c(C)cccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CASP1 P29466 3/20 0.45
CD44 P16070 1/20 0.45
DPP4 P27487 2/20 0.45
ANPEP P15144 1/20 0.45
PDE10A Q9Y233 1/20 0.42
CYP3A4 P08684 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 4/20 0.39
PIK3CA P42336 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
THRB P10828 2/20 0.38
KMT2A Q03164 2/20 0.38
PLA2G7 Q13093 1/20 0.38
GAA P10253 1/20 0.38
NR4A1 P22736 1/20 0.38
PTK2B Q14289 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL30839751 1.00 ALDH1A1 (0.46) ALDH1A1CASP1CD44DPP4ANPEP
SCHEMBL3785419 1.00 ALDH1A1 (0.46) ALDH1A1CASP1CD44DPP4ANPEP
SCHEMBL6011399 0.88 CASP1 (0.50) ALDH1A1CASP1CD44DPP4ANPEP
SCHEMBL30839734 0.84 CASP1 (0.50) ALDH1A1CASP1CD44DPP4ANPEP
SCHEMBL27186009 0.84 CASP1 (0.50) ALDH1A1CASP1CD44DPP4ANPEP
O-Tolylamine SCHEMBL29140498 0.82 CYP3A4 (0.60) ALDH1A1CASP1CD44DPP4ANPEP
SCHEMBL6781112 0.79 PDE10A (0.57) ALDH1A1CASP1CD44DPP4ANPEP
SCHEMBL6011387 0.79 CASP1 (0.54) ALDH1A1CASP1CD44DPP4ANPEP
SCHEMBL9678804 0.79 CYP3A4 (0.54) ALDH1A1CASP1CD44DPP4CYP3A4
SCHEMBL29683594 0.78 CYP3A4 (0.48) ALDH1A1CASP1CD44DPP4ANPEP

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