SCHEMBL9279833

SCHEMBL9279833

C=CCN(CC=C)c1ccc2c(Cl)c(C=O)c(=O)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.49
▸ KDM4E B2RXH2 7/20 0.49
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ GLA P06280 5/20 0.49
▸ ATM Q13315 5/20 0.49
▸ MAPT P10636 5/20 0.49
▸ TDP1 Q9NUW8 4/20 0.49
▸ NPSR1 Q6W5P4 4/20 0.49
▸ HTT P42858 4/20 0.49
▸ L3MBTL1 Q9Y468 4/20 0.49
▸ CASP1 P29466 4/20 0.49
▸ CASP7 P55210 4/20 0.49
▸ HSD17B10 Q99714 4/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ USP2 O75604 1/20 0.49

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
SCHEMBL2195842 0.85 ALDH1A1 (0.68) ALDH1A1KDM4EMEN1KMT2AGLA
SCHEMBL29493311 0.85 ALDH1A1 (0.68) ALDH1A1KDM4EMEN1KMT2AGLA
SCHEMBL16985193 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AGLA
SCHEMBL28455437 0.74 HSD17B3 (0.60) ALDH1A1KDM4EMEN1KMT2AGLA
SCHEMBL7635438 0.74 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2AGLA
SCHEMBL1752667 0.74 ALDH1A1 (0.70) ALDH1A1KDM4EMEN1KMT2AGLA
SCHEMBL16985192 0.73 MAOA (0.52) ALDH1A1KDM4EMEN1KMT2AGLA
SCHEMBL17145062 0.73 MEN1 (0.71) ALDH1A1KDM4EMEN1KMT2AGLA
SCHEMBL16296942 0.72 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2AGLA
SCHEMBL3950391 0.71 ALDH1A1 (0.68) ALDH1A1KDM4EMEN1KMT2AGLA

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
JP-7278482-A — — None — — JP disclosed
JP-H07278482-A INK COMPOSITION FOR INK-JET PRINTING AND METHOD FOR DYEING WITH THE SAME NIPPON KAYAKU CO LTD 1995-10-24 — — JP disclosed
US-5387264-A Brillant yellow or orange with fluorescence NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1995-02-07 — — US disclosed
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