SCHEMBL31746925

SCHEMBL31746925

Cn1ncc2cc(Nc3cccc4ccn(CC(=O)Nc5cncc(C(C)(C)O)c5)c(=O)c34)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
TRPA1 O75762 2/20 0.36
NLRP3 Q96P20 1/20 0.35
NTSR1 P30989 1/20 0.35
NTRK1 P04629 1/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
NAMPT P43490 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL25073878 1.00 NOTUM (0.39) NOTUMTRPA1NLRP3NTSR1NTRK1
SCHEMBL25073752 0.92 RXFP1 (0.39) NOTUMTRPA1NLRP3NTSR1NTRK1
SCHEMBL31746891 0.92 RXFP1 (0.39) NOTUMTRPA1NLRP3NTSR1NTRK1
SCHEMBL25073877 0.92 NOTUM (0.42) NOTUMTRPA1NLRP3ALDH1A1RAB9A
SCHEMBL30279170 0.92 NOTUM (0.42) NOTUMTRPA1NLRP3ALDH1A1RAB9A
SCHEMBL25073880 0.92 TRPA1 (0.41) NOTUMTRPA1NLRP3NTSR1ALDH1A1
SCHEMBL31746956 0.88 NOTUM (0.42) NOTUMNLRP3NTSR1NTRK1ALDH1A1
SCHEMBL25073855 0.88 NOTUM (0.42) NOTUMNLRP3NTSR1NTRK1ALDH1A1
SCHEMBL31746961 0.87 NOTUM (0.43) NOTUMNTSR1NTRK1ALDH1A1MAPT
SCHEMBL25073750 0.87 NOTUM (0.43) NOTUMNTSR1NTRK1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4387963-B1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 REDX PHARMA LTD (GB) 2025-12-24 EP disclosed