SCHEMBL7682836

SCHEMBL7682836

COC(=O)c1c(Cl)cccc1NC(=O)c1ccc(C)nc1C(=O)NCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 5/20 0.39
PIM1 P11309 1/20 0.38
BAD Q92934 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
P2RX7 Q99572 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HPGD P15428 2/20 0.37
PTGES O14684 1/20 0.37
NPC1 O15118 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RECQL P46063 1/20 0.36

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
SCHEMBL7682078 0.88 ALDH1A1 (0.42) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL7679306 0.87 ALDH1A1 (0.40) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL7681399 0.85 GRM5 (0.40) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL7686045 0.85 HPGD (0.44) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL7684280 0.85 CNR1 (0.43) P2RX7NPC1
SCHEMBL7685456 0.84 TSHR (0.39) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL7684725 0.83 TSHR (0.38) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL7677603 0.77 ALDH1A1 (0.42) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL7685639 0.77 ALDH1A1 (0.36) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL7683185 0.75 ALDH1A1 (0.41) KDM4EALDH1A1MEN1KMT2APOLB

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-6472349-B1 Pyridine-2,3-dicarboxylic acid diamides BASF AKTIENGESELLSCHAFT (DE) 2002-10-29 US claimed