SCHEMBL8600758

SCHEMBL8600758

O=C(Cn1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc21)NCc1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 3/20 0.43
TSHR P16473 3/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
GLA P06280 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL8598986 0.88 HPGD (0.43) HPGDPOLBLMNAHTTTSHR
SCHEMBL8596981 0.86 TP53 (0.44) HTTTP53GAASMN1; SMN2ALDH1A1
SCHEMBL8567592 0.85 TYK2 (0.43) HTTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8597757 0.85 L3MBTL1 (0.46) LMNAHTTTP53GAASMN1; SMN2
SCHEMBL8598838 0.85 TP53 (0.43) HTTTP53GAASMN1; SMN2ALDH1A1
SCHEMBL8597110 0.84 LMNA (0.43) HPGDTDP1LMNATP53GAA
SCHEMBL8596007 0.84 TP53 (0.51) TDP1LMNAHTTTP53MAPK1
SCHEMBL8600307 0.83 TP53 (0.44) HTTTP53GAASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8597961 0.83 POLB (0.50) POLBSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL8602410 0.83 TP53 (0.45) HTTTP53SMN1; SMN2MAPTMEN1

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