SCHEMBL18672145

SCHEMBL18672145

O=Cc1ccc(-n2cnc(-c3ccc(C(=O)O)cc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
KCNJ1 P48048 1/20 0.43
ADH5 P11766 2/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.39
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
ERN1 O75460 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KMT2A Q03164 1/20 0.36
HPGDS O60760 1/20 0.36
ALKBH2 Q6NS38 1/20 0.36
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
NFKB1 P19838 1/20 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
SCHEMBL19244631 0.85 CA12 (0.48) ADH5CA12CA9MAOAMAOB
SCHEMBL19244630 0.85 ALDH5A1 (0.48) ALDH1A1TRIM24TRIM33KCNJ1KDM4E
SCHEMBL4549490 0.85 HPGDS (0.50) ALDH1A1ADH5KDM4ESMN1; SMN2KMT2A
SCHEMBL6832118 0.85 KCNJ1 (0.44) ALDH1A1KCNJ1KDM4ESMN1; SMN2MAPK1
SCHEMBL6758328 0.84 SMN1; SMN2 (0.50) ALDH1A1ADH5KDM4ESMN1; SMN2CA12
SCHEMBL16144601 0.84 TPMT (0.50) ALDH1A1ADH5KDM4ESMN1; SMN2CA12
SCHEMBL19244927 0.82 KCNJ1 (0.45) ALDH1A1TRIM24TRIM33KCNJ1KDM4E
SCHEMBL4549492 0.82 CYP2A6 (0.48) ALDH1A1TRIM24TRIM33KCNJ1KDM4E
SCHEMBL16030407 0.79 KCNJ1 (0.42) ALDH1A1KCNJ1KDM4ESMN1; SMN2MAPK1
SCHEMBL19244926 0.79 KCNJ1 (0.42) ALDH1A1TRIM24TRIM33KCNJ1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604942-B2 Preparation of haloalkoxyarylhydrazines and intermediates therefrom DOW AGROSCIENCES LLC (US) 2017-03-28 US disclosed