SCHEMBL9365629

SCHEMBL9365629

N#CC1C=Cc2ccccc2N1C(=O)/C=C/c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GPR183 P32249 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ PYGL P06737 7/20 0.38
▸ ABCG2 Q9UNQ0 2/20 0.37
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ CCR2 P41597 1/20 0.36

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
SCHEMBL9365636 1.00 MAPT (0.48) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9365487 0.89 KMT2A (0.48) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9365482 0.89 KMT2A (0.48) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9366482 0.86 LMNA (0.52) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9366481 0.86 LMNA (0.52) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9366567 0.86 LMNA (0.52) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9365675 0.85 LMNA (0.53) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9365679 0.85 LMNA (0.53) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9365498 0.84 LMNA (0.48) SMN1; SMN2LMNAMEN1ALDH1A1KMT2A
SCHEMBL9365390 0.84 LMNA (0.48) SMN1; SMN2LMNAMEN1ALDH1A1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579695-A1 REISSERT COMPOUNDS AS ANTI-HIV AGENTS THE UPJOHN COMPANY (US) 1994-01-26 — — EP claimed
WO-1992016508-A1 REISSERT COMPOUNDS AS ANTI-HIV AGENTS THE UPJOHN COMPANY (US) 1992-10-01 — — WO claimed
EP-0579695-A1 REISSERT COMPOUNDS AS ANTI-HIV AGENTS THE UPJOHN COMPANY (US) 1994-01-26 — — EP disclosed
WO-1992016508-A1 REISSERT COMPOUNDS AS ANTI-HIV AGENTS THE UPJOHN COMPANY (US) 1992-10-01 — — WO disclosed
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