SCHEMBL30839802

SCHEMBL30839802

Cc1cc(N)ccc1-c1cc(N)ccc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
PLA2G7 Q13093 1/20 0.57
PDE10A Q9Y233 1/20 0.54
CASP1 P29466 5/20 0.52
TSHR P16473 5/20 0.48
CYP3A4 P08684 3/20 0.48
LMNA P02545 4/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 3/20 0.42
THRB P10828 2/20 0.42
GAA P10253 1/20 0.42
NR4A1 P22736 1/20 0.42
PTK2B Q14289 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42

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
SCHEMBL31607645 1.00 ALDH1A1 (0.61) ALDH1A1PLA2G7PDE10ACASP1TSHR
SCHEMBL3780639 1.00 ALDH1A1 (0.61) ALDH1A1PLA2G7PDE10ACASP1TSHR
SCHEMBL26344632 0.90 ALDH1A1 (0.59) ALDH1A1PLA2G7PDE10ACASP1TSHR
SCHEMBL8848693 0.90 PLA2G7 (0.65) ALDH1A1PLA2G7PDE10ACASP1TSHR
SCHEMBL30092397 0.90 PLA2G7 (0.65) ALDH1A1PLA2G7PDE10ACASP1TSHR
SCHEMBL31607621 0.90 PLA2G7 (0.65) ALDH1A1PLA2G7PDE10ACASP1TSHR
SCHEMBL29777463 0.90 ALDH1A1 (0.65) ALDH1A1PLA2G7PDE10ACASP1TSHR
SCHEMBL30839745 0.90 ALDH1A1 (0.65) ALDH1A1PLA2G7PDE10ACASP1TSHR
SCHEMBL16280579 0.90 ALDH1A1 (0.65) ALDH1A1PLA2G7PDE10ACASP1TSHR
SCHEMBL63910 0.90 ALDH1A1 (0.65) ALDH1A1PLA2G7PDE10ACASP1TSHR

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
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