SCHEMBL9580913

SCHEMBL9580913

CCOc1c(C=C2NC(=O)NC2=O)cccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.57
▸ LMNA P02545 3/20 0.57
▸ RECQL P46063 2/20 0.57
▸ ALDH1A1 P00352 5/20 0.57
▸ POLB P06746 3/20 0.57
▸ GSK3B P49841 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ GAA P10253 2/20 0.49
▸ HPGD P15428 2/20 0.48
▸ APOBEC3A P31941 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47
▸ TDP1 Q9NUW8 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ PTPN7 P35236 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ PTPN22 Q9Y2R2 1/20 0.47
▸ GSK3A P49840 1/20 0.47

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
SCHEMBL8964074 0.87 KMT2A (0.59) MAPTLMNARECQLALDH1A1POLB
SCHEMBL8964071 0.87 KMT2A (0.59) MAPTLMNARECQLALDH1A1POLB
SCHEMBL8216687 0.80 LMNA (0.73) MAPTLMNARECQLALDH1A1POLB
SCHEMBL8216686 0.80 LMNA (0.73) MAPTLMNARECQLALDH1A1POLB
SCHEMBL8216684 0.80 LMNA (0.73) MAPTLMNARECQLALDH1A1POLB
SCHEMBL8964067 0.79 KMT2A (0.57) MAPTLMNARECQLALDH1A1POLB
SCHEMBL8964063 0.79 KMT2A (0.57) MAPTLMNARECQLALDH1A1POLB
SCHEMBL411835 0.78 HTR1A (0.56) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL12136814 0.77 LMNA (0.73) MAPTLMNARECQLALDH1A1POLB
SCHEMBL13044233 0.74 SRC (0.63) MAPTLMNARECQLALDH1A1POLB

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-5246943-A Substituted 1,2,3,4-tetahydroisoquinolines with angiotensin II receptor antagonist properties WARNER-LAMBERT COMPANY (US) 1993-09-21 — — US disclosed
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