SCHEMBL11246231

SCHEMBL11246231

c1ccc(CSCCNc2ncnc3ccccc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 5/20 0.68
▸ EGFR P00533 5/20 0.68
▸ LMNA P02545 4/20 0.68
▸ MAPK1 P28482 2/20 0.68
▸ APP P05067 2/20 0.68
▸ NR2F2 P24468 3/20 0.62
▸ GALR3 O60755 2/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ TSHR P16473 1/20 0.61
▸ LDHA P00338 1/20 0.55
▸ GAA P10253 3/20 0.53
▸ ALPG P10696 1/20 0.53
▸ S1PR2 O95136 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MAPT P10636 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL11254608 0.90 LMNA (0.62) HTTEGFRLMNAMAPK1APP
SCHEMBL11247705 0.90 LMNA (0.62) HTTEGFRLMNAMAPK1APP
SCHEMBL11261445 0.83 SMN1; SMN2 (0.63) HTTEGFRLMNAMAPK1APP
SCHEMBL11249774 0.82 SMN1; SMN2 (0.66) HTTEGFRLMNAMAPK1APP
SCHEMBL8497590 0.81 APP (1.00) HTTEGFRLMNAMAPK1APP
SCHEMBL11250162 0.80 HTT (0.62) HTTEGFRLMNAMAPK1APP
SCHEMBL11246642 0.80 APP (0.68) HTTEGFRLMNAMAPK1APP
SCHEMBL29386010 0.77 EGFR (1.00) HTTEGFRLMNAMAPK1APP
SCHEMBL7612718 0.77 EGFR (1.00) HTTEGFRLMNAMAPK1APP
SCHEMBL13948948 0.77 LMNA (0.81) HTTEGFRLMNAMAPK1APP

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-4323680-A 4-Aminoquinazoline compounds useful as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1982-04-06 — — US disclosed
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