SCHEMBL8818596

SCHEMBL8818596

CCc1cccc2[nH]c(N)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 4/20 0.47
MASP2 O00187 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
AOC3 Q16853 1/20 0.44
ATP4A P20648 2/20 0.43
ATP4B P51164 2/20 0.43
CDK5 Q00535 6/20 0.41
CDK5R1 Q15078 6/20 0.41
CHEK1 O14757 1/20 0.40
TLR8 Q9NR97 1/20 0.40
ULK1 O75385 1/20 0.40
CDK7 P50613 1/20 0.40
PRKCE Q02156 1/20 0.40
CAMK2G Q13555 1/20 0.40
DYRK1A Q13627 1/20 0.40
RPS6KA1 Q15418 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
MAP3K19 Q56UN5 1/20 0.40

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
SCHEMBL6694494 0.84 NUDT1 (0.49) NUDT1MASP2MEN1ALDH1A1KMT2A
SCHEMBL15553340 0.82 KCNH2 (0.45) NUDT1TLR8
SCHEMBL5788740 0.80 PARP1 (0.54) ALDH1A1ATP4AATP4BCHEK1DAO
SCHEMBL2899660 0.80 DDAH1 (0.55) ALDH1A1CHEK1DAODDO
SCHEMBL7993998 0.79 NUDT1 (0.42) NUDT1MASP2MEN1ALDH1A1KMT2A
SCHEMBL10835909 0.79 DAO (0.38) ALDH1A1ATP4AATP4BCHEK1TLR8
SCHEMBL5071826 0.78 PNP (0.52) NUDT1MASP2MEN1ALDH1A1KMT2A
SCHEMBL6973496 0.78 RIPK1 (0.41) ALDH1A1ATP4AATP4BCHEK1DAO
SCHEMBL1075197 0.78 NUDT1 (0.44) NUDT1MASP2MEN1ALDH1A1KMT2A
SCHEMBL28295652 0.78 NUDT1 (0.41) NUDT1MASP2MEN1ALDH1A1KMT2A

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-1997031047-A1 MULTI-FUNCTIONAL OXIRANE POLYMERS KEEHAN DONALD J (US) 1997-08-28 WO disclosed