SCHEMBL6551669

SCHEMBL6551669

Clc1ccc(OCc2ccccc2)cn1.Oc1ccc(Cl)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
CYP2C19 P33261 1/20 0.59
PTGS2 P35354 1/20 0.59
SLC6A3 Q01959 1/20 0.59
HIF1A Q16665 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
P4HTM Q9NXG6 1/20 0.55
GAA P10253 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
BLM P54132 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
ATM Q13315 1/20 0.46
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45

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
SCHEMBL940824 0.92 P4HTM (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6212230 0.92 LMNA (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6802570 0.89 P4HTM (0.55) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8614184 0.79 PRMT5 (0.54) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL29442816 0.76 MAOB (0.62) NR4A2MAOBMAOAALKBH1ALOX5
SCHEMBL21384055 0.76 MAOB (0.62) NR4A2MAOBMAOAALKBH1ALOX5
SCHEMBL21464426 0.76 TDP1 (0.50) P4HTML3MBTL1
SCHEMBL18429718 0.76 APP (0.64) RAB9AALDH1A1NPC1
SCHEMBL1259197 0.76 NPC1 (0.55) MAPTMEN1KMT2ARAB9AALDH1A1
Monobenzone SCHEMBL11272996 0.75 LMNA (1.00) LMNACYP1A2PTGS1SLC6A2CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483258-A1 BENZIMIDAZOLE-DERIVATIVES FOR THE TREATMENT OF SEXUAL DYSFUNCTION Abbott Laboratories (US) 2004-12-08 EP disclosed
EP-1373220-A1 BENZIMIDAZOLES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2004-01-02 EP disclosed
WO-2003076431-A1 BENZIMIDAZOLE-DERIVATIVES FOR THE TREATMENT OF SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-09-18 WO disclosed
WO-2002088093-A1 BENZIMIDAZOLES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2002-11-07 WO disclosed