SCHEMBL6827396

SCHEMBL6827396

N#CCCN(C#N)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MLYCD O95822 1/20 0.43
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNA3 P22001 1/20 0.37
KCNN4 O15554 1/20 0.37
KCNA5 P22460 1/20 0.37
DRD3 P35462 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
SCHEMBL151399 0.80 USP2 (0.49) USP2HSD17B10MLYCDALDH1A1MEN1
SCHEMBL2323987 0.80 USP2 (0.53) USP2HSD17B10MLYCDALDH1A1MEN1
SCHEMBL3448446 0.78 KCNN4 (0.42) ALDH1A1LMNAHTTSMN1; SMN2TSHR
SCHEMBL6627229 0.77 USP2 (0.46) USP2HSD17B10MLYCDALDH1A1MEN1
SCHEMBL149631 0.77 ALDH1A1 (0.49) USP2HSD17B10MLYCDALDH1A1MEN1
SCHEMBL10500375 0.77 USP2 (0.50) USP2HSD17B10MLYCDALDH1A1MEN1
SCHEMBL6114723 0.77 USP2 (0.46) USP2HSD17B10MLYCDALDH1A1MEN1
SCHEMBL2243707 0.76 NPSR1 (0.44) USP2ALDH1A1MEN1KMT2ALMNA
SCHEMBL27929156 0.76 ALDH1A1 (0.40) USP2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL13158975 0.75 TDP1 (0.42) HSD17B10MEN1KMT2ARAB9ASMN1; SMN2

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-2004009559-A2 DIHYDROURACIL COMPOUNDS AS ANTI-ICTOGENIC OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-01-29 WO disclosed