SCHEMBL31746915

SCHEMBL31746915

Cn1ncc2cc(Nc3cccc4ccn(CC(=O)Nc5ccccc5)c(=O)c34)ccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
NLRP3 Q96P20 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
RAB9A P51151 1/20 0.43
PSMB5 P28074 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NTSR1 P30989 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL25073756 1.00 NOTUM (0.46) NOTUMNLRP3ALDH1A1HPGDNPC1
SCHEMBL25073816 0.93 NOTUM (0.42) NOTUMNLRP3ALDH1A1HPGDNPC1
SCHEMBL31746873 0.93 NOTUM (0.42) NOTUMNLRP3ALDH1A1HPGDNPC1
SCHEMBL31162393 0.92 NOTUM (0.42) NOTUMNLRP3ALDH1A1HPGDNPC1
SCHEMBL25073760 0.92 ALDH1A1 (0.46) NOTUMNLRP3ALDH1A1HPGDNPC1
SCHEMBL25073779 0.92 KDM4E (0.47) NOTUMNLRP3ALDH1A1HPGDMAPT
SCHEMBL31746968 0.92 KDM4E (0.47) NOTUMNLRP3ALDH1A1HPGDMAPT
SCHEMBL25073746 0.92 KDM4E (0.48) NOTUMALDH1A1MAPTPSMB5KDM4E
SCHEMBL25073753 0.92 RXFP1 (0.45) NOTUMNLRP3ALDH1A1HPGDNPC1
SCHEMBL31746897 0.92 ALDH1A1 (0.46) NOTUMNLRP3ALDH1A1HPGDNPC1

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