SCHEMBL28697302

SCHEMBL28697302

Cc1nc2c(C)cccn2c1CO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.58
ATP4B P51164 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.49
USP7 Q93009 1/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41

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
SCHEMBL5634105 0.85 ATP4A (0.57) ATP4AATP4BSMN1; SMN2ALDH1A1KDM4E
SCHEMBL5635529 0.83 ATP4A (0.56) ATP4AATP4BSMN1; SMN2ALDH1A1USP7
SCHEMBL7492158 0.81 CYP3A4 (0.61) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL7504054 0.79 CYP3A4 (0.73) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL10611088 0.77 ATP4A (0.50) ATP4AATP4BSMN1; SMN2ALDH1A1NPC1
SCHEMBL2193550 0.76 ATP4A (0.73) ATP4AATP4BALDH1A1KDM4EHPGD
SCHEMBL10649575 0.76 ATP4A (0.69) ATP4AATP4BSMN1; SMN2CYP1A2CYP3A4
SCHEMBL1691176 0.76 GAA (0.48) ATP4AATP4BSMN1; SMN2ALDH1A1USP7
SCHEMBL14646313 0.76 GAA (0.48) ATP4AATP4BSMN1; SMN2ALDH1A1USP7
SCHEMBL13176306 0.76 CYP1A2 (0.58) ATP4AATP4BSMN1; SMN2ALDH1A1USP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114047269-B Detection method of acetyl hexapeptide-8 浙江湃肽生物有限公司南京分公司 2022-04-15 CN claimed
CN-114047269-A Detection method of acetyl hexapeptide-8 浙江湃肽生物有限公司南京分公司 2022-02-15 CN claimed
CN-114047269-B Detection method of acetyl hexapeptide-8 浙江湃肽生物有限公司南京分公司 2022-04-15 CN disclosed
CN-114047269-B Detection method of acetyl hexapeptide-8 浙江湃肽生物有限公司南京分公司 2022-04-15 CN disclosed
CN-114047269-A Detection method of acetyl hexapeptide-8 浙江湃肽生物有限公司南京分公司 2022-02-15 CN disclosed
CN-114047269-A Detection method of acetyl hexapeptide-8 浙江湃肽生物有限公司南京分公司 2022-02-15 CN disclosed