SCHEMBL9707732

SCHEMBL9707732

Cc1nc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
KDM4E B2RXH2 9/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 3/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 4/20 0.44
PKM P14618 3/20 0.42
MCL1 Q07820 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL9707484 0.92 KDM4E (0.49) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL9707767 0.90 MEN1 (0.50) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL9708384 0.90 MEN1 (0.48) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL9707482 0.90 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL9708366 0.89 BRAF (0.48) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL9708303 0.89 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL9708930 0.89 MEN1 (0.50) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL9708151 0.88 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL9708270 0.88 MEN1 (0.49) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL9708838 0.88 MEN1 (0.44) ALDH1A1KDM4EMEN1KMT2AHTT

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
WO-1992007852-A1 BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed