SCHEMBL31661352

SCHEMBL31661352

Cc1ccc(N)cc1-c1cccc(N)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.58
CASP1 P29466 5/20 0.48
TSHR P16473 5/20 0.48
CYP3A4 P08684 5/20 0.48
PIK3CA P42336 1/20 0.48
ALDH1A1 P00352 6/20 0.45
POLB P06746 2/20 0.43
CD44 P16070 1/20 0.43
PDE10A Q9Y233 1/20 0.41
ANPEP P15144 1/20 0.40
DPP4 P27487 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 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
SCHEMBL3785048 1.00 PLA2G7 (0.58) PLA2G7CASP1TSHRCYP3A4PIK3CA
SCHEMBL30839804 0.85 CYP3A4 (0.48) PLA2G7CASP1TSHRCYP3A4PIK3CA
SCHEMBL29683594 0.85 CYP3A4 (0.48) PLA2G7CASP1TSHRCYP3A4PIK3CA
SCHEMBL3784789 0.85 CYP3A4 (0.48) PLA2G7CASP1TSHRCYP3A4PIK3CA
SCHEMBL3780745 0.84 PLA2G7 (0.67) PLA2G7CASP1TSHRCYP3A4ALDH1A1
SCHEMBL6011489 0.82 CYP3A4 (0.50) PLA2G7CASP1TSHRCYP3A4PIK3CA
SCHEMBL31607621 0.81 PLA2G7 (0.65) PLA2G7CASP1TSHRCYP3A4ALDH1A1
SCHEMBL30092397 0.81 PLA2G7 (0.65) PLA2G7CASP1TSHRCYP3A4ALDH1A1
SCHEMBL2206282 0.81 CYP3A4 (0.72) CASP1TSHRCYP3A4PIK3CAALDH1A1
SCHEMBL30839749 0.81 CYP3A4 (0.72) CASP1TSHRCYP3A4PIK3CAALDH1A1

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
WO-2025149744-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 WO claimed
WO-2025149744-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 WO disclosed