SCHEMBL9228544

SCHEMBL9228544

CC1=NN(c2ccc(C)cc2)C(=O)C1N=Nc1ccc(-c2ccc(N=NC3C(=O)N(c4ccc(C)cc4)N=C3C)c(Cl)c2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.52
▸ ALDH1A1 P00352 7/20 0.52
▸ NPC1 O15118 6/20 0.52
▸ RAB9A P51151 6/20 0.52
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ MAPK1 P28482 4/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ MEN1 O00255 15/20 0.51
▸ KMT2A Q03164 15/20 0.51
▸ XBP1 P17861 1/20 0.48
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ POLB P06746 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ATM Q13315 1/20 0.46
▸ CYP1A2 P05177 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL29356536 1.00 MAPT (0.52) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2449957 1.00 MAPT (0.52) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2641824 0.92 MAPT (0.64) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30078720 0.92 MAPT (0.64) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29350167 0.92 MAPT (0.64) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2641828 0.92 MAPT (0.64) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL21611730 0.84 KMT2A (0.52) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12760847 0.79 MAPT (0.70) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12760849 0.79 MAPT (0.70) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12760846 0.79 MAPT (0.70) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996003467-A1 INK AND COATING COMPOSITIONS CONTAINING A BLEND OF WATER-DISPERSIBLE POLYESTER AND CARBOXYLIC ACIDS EASTMAN CHEMICAL COMPANY (US) 1996-02-08 — — WO disclosed
EP-0526569-A1 AQUEOUS PRINTING INKS HAVING IMPROVED FREEZE-THAW PROPERTIES. EASTMAN KODAK CO (US) 1993-02-10 — — EP disclosed
WO-1991016382-A2 AQUEOUS PRINTING INKS HAVING IMPROVED FREEZE-THAW PROPERTIES EASTMAN KODAK COMPANY (US) 1991-10-31 — — WO disclosed
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