SCHEMBL6123868

SCHEMBL6123868

Cc1nc(C)nc(Nc2ccc(N=Nc3ccc(N=Nc4ccccc4)cc3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ KCNH3 Q9ULD8 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL14189802 0.97 KCNH3 (0.46) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL6123694 0.97 KCNH3 (0.46) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL7517592 0.87 MAPT (0.53) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL14357408 0.86 MEN1 (0.49) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL115405 0.83 MAPT (0.57) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL1401200 0.79 NFKB1 (0.70) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL13313311 0.79 MAPT (0.70) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL1401124 0.79 CA12 (0.49) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL6123719 0.79 MAPT (0.70) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL6123774 0.79 NFKB1 (0.70) MAPTSMN1; SMN2NPC1RAB9AHTT

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-8167991-B2 Trisazo compound, ink composition, recording method, and colored article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-05-01 — — US disclosed
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