SCHEMBL9700666

SCHEMBL9700666

COc1cccc(-c2ccc(-c3nnn[nH]3)c(=O)[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GLA P06280 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.47
NOTUM Q6P988 1/20 0.41

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
SCHEMBL9700635 0.89 GAA (0.39) ALDH1A1GAAKDM4EGLAL3MBTL1
SCHEMBL9528770 0.87 KDM4E (0.48) ALDH1A1GAAKDM4EGLAL3MBTL1
SCHEMBL9526113 0.85 MAPT (0.41) ALDH1A1GAAKDM4EGLAL3MBTL1
SCHEMBL9701382 0.85 SMN1; SMN2 (0.42) ALDH1A1GAAKDM4EGLAL3MBTL1
SCHEMBL9525824 0.82 NPC1 (0.38) ALDH1A1GAAKDM4EGLAL3MBTL1
SCHEMBL9700824 0.82 CDC7 (0.45) ALDH1A1KDM4E
SCHEMBL9701671 0.81 BRD4 (0.42) ALDH1A1GAAKDM4EGLALMNA
SCHEMBL9700756 0.81 SNCA (0.37) ALDH1A1GAAKDM4EGLAL3MBTL1
SCHEMBL9700701 0.81 NOTUM (0.41) ALDH1A1GAAKDM4EGLAL3MBTL1
SCHEMBL9700407 0.81 IDO1 (0.41) ALDH1A1GAAKDM4EGLAL3MBTL1

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
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO claimed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed