SCHEMBL30095877

SCHEMBL30095877

COc1cncc(CN=[N+]=[N-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.40
CYP11B2 P19099 7/20 0.40
KCNH2 Q12809 1/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2B Q13224 3/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PRKACA P17612 1/20 0.35
ROCK1 Q13464 1/20 0.35
DYRK1A Q13627 1/20 0.35
NTRK3 Q16288 1/20 0.35
PKN2 Q16513 1/20 0.35

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
SCHEMBL27246669 1.00 CYP11B1 (0.40) CYP11B1CYP11B2KCNH2KDM1AMAOA
SCHEMBL15227173 0.80 GRIN2D (0.46) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL27726738 0.76 MAPK1 (0.43) MAOAMAOBCYP1A2
SCHEMBL16401448 0.75 TAAR1 (0.50) MAOBGRIN1GRIN2B
SCHEMBL30394051 0.75 TAAR1 (0.50) MAOBGRIN1GRIN2B
SCHEMBL13805786 0.75 GRIN2D (0.41) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL15693699 0.75 GRIN2D (0.41) MAOBGRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL28083308 0.74 ATM (0.50) CYP11B1CYP11B2CYP2C9
SCHEMBL13587367 0.74 KDM4E (0.33) KCNH2
SCHEMBL13547438 0.73 MIF (0.52) CYP3A4

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-117642397-A Modified proteins and protein binders 上海睿跃生物科技有限公司 2024-03-01 CN disclosed
WO-2022194087-A1 MODIFIED PROTEINS AND PROTEIN BINDERS CULLGEN (SHANGHAI) , INC. (CN) 2022-09-22 WO disclosed