SCHEMBL27768308

SCHEMBL27768308

N=C(N)Nc1nc(-c2ccc(CN)cc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.50
KMT2A Q03164 2/20 0.50
WNT3A P56704 1/20 0.50
ATP4A P20648 1/20 0.47
ATP4B P51164 1/20 0.47
ELOVL1 Q9BW60 1/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
AMY1A P0DUB6 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL2395281 0.87 ATP4A (0.49) KMT2AATP4AATP4BELOVL1HTT
SCHEMBL3613607 0.85 LTA4H (0.59) KMT2AATP4AATP4BELOVL1MAPT
SCHEMBL27768248 0.85 ATP4A (0.56) AOC3KMT2AATP4AATP4BELOVL1
SCHEMBL3607861 0.84 ABL1 (0.47) AOC3KMT2AWNT3AATP4AATP4B
SCHEMBL3594785 0.84 MAPT (0.65) KMT2AATP4AATP4BMAPTLMNA
SCHEMBL3604799 0.84 ALOX5 (0.61) AOC3KMT2AWNT3AATP4AATP4B
SCHEMBL3603727 0.82 GSTO1 (0.60) KMT2AMAPTLMNAHTTALDH1A1
SCHEMBL3598628 0.82 MAPT (0.58) KMT2AELOVL1MAPTLMNAHTT
SCHEMBL30660071 0.82 MAPT (0.48) AOC3KMT2AWNT3AATP4AATP4B
SCHEMBL3602636 0.82 ABL1 (0.65) KMT2AMAPTLMNAHTTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN claimed
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN disclosed