SCHEMBL5249363

SCHEMBL5249363

O=C(Cl)Cl.O=C1C2CC3CC(C2)CC1C3

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
EPHX2 P34913 2/20 0.42
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 1/20 0.36
HSD11B1 P28845 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 4/20 0.31
ESR1 P03372 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 3/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL14791313 0.88 TSHR (0.40) TSHREPHX2KDM4ENPC1ALDH1A1
SCHEMBL10285140 0.88 TSHR (0.40) TSHREPHX2KDM4ENPC1ALDH1A1
SCHEMBL4721541 0.88 TSHR (0.40) TSHREPHX2KDM4ENPC1ALDH1A1
SCHEMBL71132 0.88 TSHR (0.40) TSHREPHX2KDM4ENPC1ALDH1A1
Adamantane SCHEMBL9651363 0.88 TSHR (0.40) TSHREPHX2KDM4ENPC1ALDH1A1
SCHEMBL6315184 0.85 TSHR (0.39) TSHREPHX2KDM4ENPC1
Hydrochloric Acid SCHEMBL27840012 0.85 TSHR (0.39) TSHREPHX2KDM4ENPC1
Carbamic Acid SCHEMBL15015728 0.84 TSHR (0.46) TSHREPHX2KDM4ENPC1HSD11B1
Acetic Acid SCHEMBL28029262 0.84 TSHR (0.46) TSHREPHX2KDM4ENPC1HSD11B1
Ethylene SCHEMBL1617394 0.82 TSHR (0.37) TSHREPHX2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256287-B2 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2007-08-14 US disclosed
EP-1546157-A4 PHENYL-AZA-BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2007-02-28 EP disclosed
EP-1546157-A2 PHENYL-AZA-BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION Avanir Pharmaceuticals (US) 2005-06-29 EP disclosed
US-20040116466-A1 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS 2004-06-17 US disclosed
WO-2004024897-A2 PHENYL-AZA-BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2004-03-25 WO disclosed