SCHEMBL10690551

SCHEMBL10690551

COc1cc(OC(C)C)c(C(=O)Nc2nnn[nH]2)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.43
KCNMA1 Q12791 1/20 0.37
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
GRM4 Q14833 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 5/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 2/20 0.35

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
SCHEMBL10690439 0.81 NPC1 (0.47) MAPTNPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11105633 0.81 ALPL (0.63) ALPLMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL10693184 0.79 PDE4D (0.36) ALPLKCNMA1MAPTNPC1ALDH1A1
SCHEMBL11108597 0.78 ALDH1A1 (0.56) MAPTNPC1ALDH1A1CYP1A2CYP2C9
SCHEMBL10693540 0.76 KCNK3 (0.49) NPC1SMN1; SMN2RAB9ABRPF1CASP3
SCHEMBL11113573 0.75 KCNMA1 (0.62) KCNMA1MAPTNPC1ALDH1A1HSD17B10
SCHEMBL10690904 0.75 PDE4D (0.36) ALPLKCNMA1NPC1ALDH1A1SMN1; SMN2
SCHEMBL10690737 0.75 PDE4D (0.36) ALPLKCNMA1MAPTNPC1ALDH1A1
SCHEMBL9501827 0.74 POLB (0.40) ALPLMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL10691459 0.73 LCK (0.54) ALDH1A1CYP1A2CYP2C19HSD17B10CYP2D6

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
US-4764525-A N-1H-tetrazol-5-ylbenzamides having use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-16 US claimed
US-4764525-A N-1H-tetrazol-5-ylbenzamides having use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-16 US disclosed