SCHEMBL26345596

SCHEMBL26345596

Cc1ccc(NCC(=O)NI)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.54
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 4/20 0.54
NLRP1 Q9C000 1/20 0.54
POLB P06746 1/20 0.52
GAA P10253 3/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 1/20 0.49
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 3/20 0.47
NPC1 O15118 1/20 0.47
CA9 Q16790 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
HDAC1 Q13547 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
SCHEMBL6653190 0.82 HDAC3 (0.56) MAPTALDH1A1KMT2ANLRP1POLB
SCHEMBL19513461 0.82 POLB (0.59) MAPTALDH1A1KMT2ANLRP1POLB
SCHEMBL2321477 0.81 MAPT (0.54) MAPTALDH1A1KMT2ANLRP1POLB
SCHEMBL28503923 0.79 CA12 (0.55) MAPTALDH1A1KMT2ANLRP1POLB
SCHEMBL498570 0.78 ALDH1A1 (0.54) MAPTALDH1A1KMT2ANLRP1POLB
SCHEMBL9419326 0.78 MAPT (0.54) MAPTALDH1A1KMT2ANLRP1POLB
SCHEMBL10538782 0.76 ALDH1A1 (0.53) MAPTALDH1A1KMT2ANLRP1POLB
SCHEMBL4572857 0.76 CA12 (0.53) MAPTALDH1A1KMT2ANLRP1POLB
Water SCHEMBL11637714 0.76 MAPT (0.52) MAPTALDH1A1KMT2ANLRP1POLB
SCHEMBL9780021 0.74 KMT2A (0.57) MAPTALDH1A1KMT2ANLRP1POLB

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-4249480-A1 DIPHENYLPYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Northwest A&F University (CN) 2023-09-27 EP disclosed