SCHEMBL8567592

SCHEMBL8567592

O=C(Cn1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc21)NCc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.43
TP53 P04637 1/20 0.41
NTRK1 P04629 1/20 0.41
NAMPT P43490 2/20 0.41
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
CYP3A4 P08684 1/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK7 Q13164 1/20 0.39
MAPK14 Q16539 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPV1 Q8NER1 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HDAC6 Q9UBN7 1/20 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
Hydrochloric Acid SCHEMBL8599463 0.90 MEN1 (0.43) NTRK1NAMPTCYP3A4HTTL3MBTL1
SCHEMBL8602351 0.88 TYK2 (0.48) TYK2TP53NAMPTJAK2JAK1
SCHEMBL8597110 0.88 LMNA (0.43) TP53CYP3A4L3MBTL1KMT2ATRPV1
Hydrochloric Acid SCHEMBL8596734 0.88 TYK2 (0.52) TYK2TP53JAK2JAK1CYP3A4
SCHEMBL8596981 0.86 TP53 (0.44) TYK2TP53HTTL3MBTL1ALDH1A1
SCHEMBL8598838 0.85 TP53 (0.43) TYK2TP53HTTL3MBTL1ALDH1A1
SCHEMBL8597757 0.85 L3MBTL1 (0.46) TYK2TP53HTTL3MBTL1ALDH1A1
SCHEMBL8603765 0.85 TYK2 (0.46) TYK2TP53JAK2JAK1CYP3A4
Hydrochloric Acid SCHEMBL8597961 0.85 POLB (0.50) NTRK1KMT2ASMN1; SMN2
SCHEMBL8600758 0.85 HPGD (0.46) TP53HTTL3MBTL1ALDH1A1KMT2A

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
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed