SCHEMBL31096451

SCHEMBL31096451

CC(C)(C)c1cn(-c2ccnc(N)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.38
NOS2 P35228 4/20 0.38
NOS1 P29475 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CDC7 O00311 1/20 0.33
CDK2 P24941 1/20 0.33
NR2E1 Q9Y466 1/20 0.33
MAPK14 Q16539 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
DYRK1A Q13627 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31

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
SCHEMBL21819076 1.00 NOS3 (0.38) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL21818895 0.81 RECQL (0.32) PTK2CYP2E1CYP2A6
SCHEMBL31096450 0.81 RECQL (0.32) PTK2CYP2E1CYP2A6
SCHEMBL10175045 0.79 CYP2E1 (0.50) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL10183027 0.78 CYP2E1 (0.38) MAPK14PSEN1PSEN2APH1BNCSTN
SCHEMBL21887444 0.75 NOS3 (0.38) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL26077742 0.75 NOS3 (0.39) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL2630637 0.73 PTK2 (0.44) MAPK14PSEN1PSEN2APH1BNCSTN
SCHEMBL11954983 0.73 NPC1 (0.41) MAPK14PTK2CYP2E1CYP2A6CPB1
SCHEMBL21819133 0.72 ELOVL1 (0.38) NOS3NOS2NOS1KDM4EMEN1

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
CN-113056271-B Fanisole X receptor agonist and application thereof 奥加诺沃公司 2024-10-29 CN disclosed