SCHEMBL12957918

SCHEMBL12957918

CNc1ccc(N=Nc2ccc(C(C)=O)cc2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.54
▸ RAB9A P51151 6/20 0.54
▸ NPC1 O15118 5/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ STAT3 P40763 1/20 0.51
▸ STAT1 P42224 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.47
▸ PRKCI P41743 1/20 0.47
▸ CYP1A1 P04798 2/20 0.46
▸ CYP1B1 Q16678 1/20 0.46
▸ NOS3 P29474 2/20 0.41
▸ NOS1 P29475 2/20 0.41
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ NLRP1 Q9C000 1/20 0.37

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
SCHEMBL16281303 0.82 PRKCI (0.62) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL18806562 0.76 MAPT (0.83) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL14336603 0.76 MAPT (0.83) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL29042753 0.76 MAPT (0.83) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL972928 0.73 SRD5A2 (0.48) MAPTRAB9ANPC1KDM4EPRKCI
SCHEMBL5982816 0.73 MAPT (0.59) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL5982820 0.73 MAPT (0.59) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL988555 0.72 TSHR (0.59) MAPTNPC1KDM4EPRKCIKMT2A
SCHEMBL18806585 0.71 MAPT (1.00) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL18806593 0.71 MAPT (1.00) MAPTRAB9ANPC1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2270281-A1 Process for dyeing pulp Kemira Germany GmbH (DE) 2011-01-05 — — EP disclosed
WO-2010149773-A1 PROCESS FOR DYEING PULP KEMIRA GERMANY GMBH (DE) 2010-12-29 — — WO disclosed
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