SCHEMBL11336014

SCHEMBL11336014

CSc1nncc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.71
ALDH1A1 P00352 3/20 0.71
GAA P10253 3/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
CYP11B2 P19099 2/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL11339198 0.84 ALDH1A1 (0.73) L3MBTL1ALDH1A1GAACYP1A2CYP2C9
SCHEMBL11337642 0.83 ALDH1A1 (0.71) L3MBTL1ALDH1A1GAACYP1A2CYP2C9
SCHEMBL2326315 0.83 ALDH1A1 (1.00) L3MBTL1ALDH1A1GAACYP1A2CYP2C9
SCHEMBL2324818 0.82 ALDH1A1 (0.70) L3MBTL1ALDH1A1GAACYP1A2CYP2C9
SCHEMBL11114941 0.81 ALDH1A1 (0.62) L3MBTL1ALDH1A1GAACYP1A2CYP2C9
SCHEMBL22322825 0.81 ALDH1A1 (0.68) L3MBTL1ALDH1A1GAACYP1A2CYP2C9
SCHEMBL11338836 0.80 ALDH1A1 (0.67) L3MBTL1ALDH1A1GAACYP1A2CYP2C9
SCHEMBL11340045 0.80 ALDH1A1 (0.67) L3MBTL1ALDH1A1GAACYP1A2CYP2C9
SCHEMBL11631291 0.79 ALDH1A1 (0.63) L3MBTL1ALDH1A1GAACYP1A2CYP2C9
SCHEMBL23093193 0.78 ALDH1A1 (0.63) L3MBTL1ALDH1A1GAACYP1A2CYP2C9

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-4251527-A ANTIINFLAMMATORY AGENTS DIAMOND SHAMROCK CORPORATION (US) 1981-02-17 US disclosed
US-4159375-A 6- AND 7-Aryl-1,2,4-triazolo[4,3-b]-1,2,4-triazines AMERICAN CYANAMID COMPANY (US) 1979-06-26 US disclosed