SCHEMBL13570262

SCHEMBL13570262

CC(C)C1=CC2=C(CC1)C1(C)CCCC(C)(C=N)C1CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.42
▸ MAPT P10636 6/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ TP53 P04637 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ KARS1 Q15046 3/20 0.38
▸ USP2 O75604 4/20 0.36
▸ MAPK1 P28482 4/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALOX15 P16050 4/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PDK1 Q15118 2/20 0.32
▸ PDK2 Q15119 2/20 0.32
▸ PDK3 Q15120 2/20 0.32
▸ PDK4 Q16654 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL21683296 0.83 CYP3A4 (0.48) CYP3A4MAPTMEN1TP53KMT2A
SCHEMBL30018920 0.78 KARS1 (0.55) CYP3A4MAPTMEN1TP53KMT2A
SCHEMBL26830176 0.78 KARS1 (0.55) CYP3A4MAPTMEN1TP53KMT2A
SCHEMBL18473375 0.77 CYP3A4 (0.33) CYP3A4MAPTMEN1TP53KMT2A
SCHEMBL151742 0.77 KARS1 (0.56) CYP3A4MAPTMEN1TP53KMT2A
SCHEMBL151741 0.77 KARS1 (0.56) CYP3A4MAPTMEN1TP53KMT2A
SCHEMBL151743 0.77 KARS1 (0.56) CYP3A4MAPTMEN1TP53KMT2A
SCHEMBL3892013 0.74 PTGS1 (0.45) CYP3A4MAPTMEN1TP53KMT2A
SCHEMBL15072076 0.68 CYP3A4 (0.41) CYP3A4MAPTMEN1TP53KMT2A
SCHEMBL9775101 0.59 CYP3A4 (0.66) CYP3A4MAPTMEN1TP53KMT2A

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
EP-2138544-A1 MONOAZO METAL COMPLEX, AZO-TYPE PIGMENT DISPERSANT, AND PIGMENT COMPOSITION COMPRISING THE AZO-TYPE PIGMENT DISPERSANT Nippon Kayaku Kabushiki Kaisha (JP) 2009-12-30 — — EP disclosed
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