SCHEMBL9979671

SCHEMBL9979671

CCO/N=C(\C)c1ccc(-c2ccccc2NC(=O)c2c(C)nn(C)c2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK14 Q16539 1/20 0.39
SMO Q99835 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 5/20 0.38
HSD17B10 Q99714 3/20 0.37
HTT P42858 2/20 0.37
USP2 O75604 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
SCHEMBL14578338 0.92 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTNPSR1KMT2A
SCHEMBL14266421 0.91 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTNPSR1KMT2A
SCHEMBL9979722 0.85 NR3C1 (0.42) ALDH1A1KDM4EMAPTNPSR1KMT2A
SCHEMBL9979603 0.84 ATM (0.52) ALDH1A1KDM4EMAPTNPSR1KMT2A
SCHEMBL14266408 0.84 NR3C1 (0.39) ALDH1A1KDM4EMAPTNPSR1KMT2A
SCHEMBL9979664 0.83 LMNA (0.45) ALDH1A1KDM4EMAPTNPSR1KMT2A
SCHEMBL3024969 0.82 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTNPSR1KMT2A
SCHEMBL3024971 0.82 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTNPSR1KMT2A
SCHEMBL13215212 0.82 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTNPSR1KMT2A
SCHEMBL14266435 0.82 NR3C1 (0.41) ALDH1A1KDM4EMAPTNPSR1KMT2A

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-1305292-B1 BIPHENYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2012-06-20 EP disclosed