SCHEMBL5049871

SCHEMBL5049871

CCSc1ccc(-c2ccc(N)cc2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 3/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HSD17B10 Q99714 3/20 0.36
TAAR1 Q96RJ0 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL3789063 0.87 MAPT (0.52) TDP1ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL3783410 0.85 AAK1 (0.44) TDP1ALDH1A1CYP3A4TP53MEN1
SCHEMBL3781489 0.84 MAOA (0.46) ALDH1A1CYP3A4TP53MEN1KMT2A
SCHEMBL3787008 0.79 TDP1 (0.46) TDP1ALDH1A1CYP3A4TP53MEN1
SCHEMBL3787049 0.78 TDP1 (0.36) TDP1ALDH1A1CYP3A4TP53MEN1
SCHEMBL3789358 0.77 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL16528615 0.77 SLC6A2 (0.50) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL3791267 0.75 MEN1 (0.35) TDP1ALDH1A1CYP3A4TP53MEN1
SCHEMBL3781267 0.75 SLC6A2 (0.51) TDP1ALDH1A1CYP3A4TP53KMT2A
SCHEMBL3789854 0.74 HTR7 (0.46) TDP1ALDH1A1CYP3A4TP53MEN1

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-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed