SCHEMBL12658032

SCHEMBL12658032

C=C(C)/N=C\C(=C/N)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ TGM2 P21980 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SLC15A1 P46059 1/20 0.33
▸ AGXT P21549 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL21164212 0.76 TGM2 (0.47) ALDH1A1HCAR2CA12CA1CA2
SCHEMBL14864328 0.73 ALDH1A1 (0.44) ALDH1A1HCAR2CA12CA1CA2
SCHEMBL156493 0.69 ALDH1A1 (0.63) ALDH1A1HCAR2CA12CA1CA2
SCHEMBL21907075 0.69 ALDH1A1 (0.41) ALDH1A1HCAR2CA12CA1CA2
SCHEMBL7640295 0.68 ALDH1A1 (0.61) ALDH1A1HCAR2MAPK1L3MBTL1SLC6A2
SCHEMBL17779954 0.67 ALDH1A1 (0.50) ALDH1A1HCAR2CA12CA1CA2
SCHEMBL22716123 0.67 ALDH1A1 (0.59) ALDH1A1HCAR2CA12CA1CA2
SCHEMBL14465543 0.67 ALDH1A1 (0.46) ALDH1A1HCAR2CA12CA1CA2
SCHEMBL9926611 0.67 ALDH1A1 (0.59) ALDH1A1HCAR2CA12CA1CA2
Propane SCHEMBL28845720 0.67 ALDH1A1 (0.59) ALDH1A1HCAR2CA12CA1CA2

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
EP-1633724-B1 PHTHALAZINONE DERIVATIVES KUDOS PHARM LTD (GB) 2011-05-04 — — EP disclosed
Send feedback