SCHEMBL31746912

SCHEMBL31746912

Nc1cccc2ccn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
NLRP3 Q96P20 1/20 0.51
LMNA P02545 4/20 0.50
RXFP1 Q9HBX9 1/20 0.50
RECQL P46063 1/20 0.50
MAPT P10636 5/20 0.49
TP53 P04637 2/20 0.49
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.48
PTGS1 P23219 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
XBP1 P17861 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL25073922 1.00 ALDH1A1 (0.51) ALDH1A1NLRP3LMNARXFP1RECQL
SCHEMBL31162542 0.88 NLRP3 (0.51) ALDH1A1NLRP3LMNARXFP1RECQL
SCHEMBL25073874 0.88 NLRP3 (0.51) ALDH1A1NLRP3LMNARXFP1RECQL
SCHEMBL3038469 0.81 MAPT (0.56) ALDH1A1NLRP3LMNARECQLMAPT
SCHEMBL31746969 0.78 POLB (0.54) NLRP3LMNARXFP1RECQLMAPT
SCHEMBL25073867 0.78 POLB (0.54) NLRP3LMNARXFP1RECQLMAPT
SCHEMBL25073775 0.78 KDM4E (0.45) ALDH1A1NLRP3LMNARXFP1MAPT
SCHEMBL30279125 0.78 KDM4E (0.45) ALDH1A1NLRP3LMNARXFP1MAPT
SCHEMBL25073828 0.77 RXFP1 (0.47) ALDH1A1NLRP3LMNARXFP1RECQL
SCHEMBL25073923 0.76 ELANE (0.53) KDM4E

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