SCHEMBL8601221

SCHEMBL8601221

CCOC(=O)Cn1c(C(F)(F)F)nc2c(C(=O)Nc3c(Cl)cccc3Cl)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
NLRP3 Q96P20 1/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 3/20 0.42
TP53 P04637 2/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
PTBP1 P26599 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
APEX1 P27695 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PTGES O14684 4/20 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
SCHEMBL8595606 0.84 PDE4B (0.46) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL8600336 0.83 PDE4B (0.43) HPGDLMNASMN1; SMN2PDE4APDE4B
SCHEMBL8598543 0.82 PDE4B (0.43) PDE4APDE4BPDE4CPDE4DPTGES
SCHEMBL8598985 0.81 PDE4B (0.42) PDE4APDE4BPDE4CPDE4DPTGES
SCHEMBL8596409 0.81 HSD17B10 (0.44) HPGDHSD17B10CYP1A2CYP2C9ALDH1A1
SCHEMBL8602720 0.80 PDE4B (0.44) HPGDHSD17B10ALDH1A1KDM4EMAPT
SCHEMBL8602102 0.80 TYK2 (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL8668207 0.79 IRAK4 (0.45) HPGDALDH1A1KDM4ETP53MAPT
SCHEMBL8598600 0.79 THRB (0.42) HPGDHSD17B10ALDH1A1KDM4ENPSR1
SCHEMBL8596934 0.78 CNR1 (0.40) LMNAPDE4APDE4BPDE4CPDE4D

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