SCHEMBL31317869

SCHEMBL31317869

COc1cncc(-c2ccc3[nH]ccc3c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.63
CYP11B2 P19099 9/20 0.63
CYP1A2 P05177 3/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2C9 P11712 1/20 0.63
PIP4K2A P48426 1/20 0.54
PIP4K2B P78356 1/20 0.54
FYN P06241 1/20 0.51
NPC1 O15118 1/20 0.49
MAP3K11 Q16584 3/20 0.48
PRKCQ Q04759 1/20 0.48
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
CYP17A1 P05093 1/20 0.47
DYRK3 O43781 1/20 0.46
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
CDK5 Q00535 1/20 0.46
DYRK1A Q13627 1/20 0.46
CDK5R1 Q15078 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
SCHEMBL7089083 0.81 NPC1 (0.62) CYP11B1CYP11B2NPC1CYP17A1DYRK3
SCHEMBL31504069 0.80 NPC1 (0.62) CYP1A2CYP3A4CYP2C9NPC1
SCHEMBL13354456 0.80 PIP4K2A (0.58) CYP11B1CYP11B2PIP4K2APIP4K2BFYN
SCHEMBL29652336 0.79 BRD4 (0.62) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL10081083 0.79 PIK3CG (0.57) PIP4K2APIP4K2BNPC1PRKCQ
SCHEMBL3004402 0.78 CYP11B2 (1.00) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL3348627 0.77 PIP4K2A (0.54) CYP11B1CYP11B2PIP4K2APIP4K2BFYN
SCHEMBL13322392 0.77 PIP4K2A (0.54) CYP11B1CYP11B2PIP4K2APIP4K2BFYN
SCHEMBL731092 0.77 NPC1 (0.49) CYP11B1CYP11B2NPC1MAP3K11PRKCQ
SCHEMBL7413835 0.76 CYP11B2 (0.78) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9

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-119212698-A NOX inhibitors for the treatment of Albert syndrome 瑞士商卡利迪塔斯疗法瑞士股份有限公司 2024-12-27 CN claimed
CN-119212698-A NOX inhibitors for the treatment of Albert syndrome 瑞士商卡利迪塔斯疗法瑞士股份有限公司 2024-12-27 CN disclosed