SCHEMBL31301232

SCHEMBL31301232

Fc1cnccc1-c1ccncc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.57
LOXL2 Q9Y4K0 1/20 0.50
CYP1A2 P05177 1/20 0.46
METAP2 P50579 1/20 0.46
CDC7 O00311 2/20 0.42
RPS6KA3 P51812 3/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
PRKACA P17612 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
KCNH2 Q12809 1/20 0.41
AOC3 Q16853 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 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
SCHEMBL26030812 0.85 LATS1 (0.50) NUDT1LOXL2CYP1A2METAP2CDC7
SCHEMBL12097666 0.82 LOXL2 (0.68) NUDT1LOXL2CYP1A2METAP2AOC3
SCHEMBL24038370 0.81 RPS6KA3 (0.59) NUDT1CDC7RPS6KA3ROCK2MAP4K4
SCHEMBL16404620 0.81 RPS6KA3 (0.59) NUDT1LOXL2CYP1A2CDC7RPS6KA3
SCHEMBL26003738 0.81 KCNH2 (0.49) NUDT1CYP1A2METAP2RPS6KA3KCNH2
SCHEMBL12097668 0.81 NUDT1 (0.47) NUDT1LOXL2CYP1A2METAP2CDC7
SCHEMBL21857846 0.81 ALDH1A1 (0.50) NUDT1LOXL2CYP1A2CDC7RPS6KA3
SCHEMBL30555065 0.81 NUDT1 (0.44) NUDT1LOXL2CYP1A2METAP2CDC7
SCHEMBL13963342 0.79 NUDT1 (0.42) NUDT1LOXL2CYP1A2METAP2CDC7
SCHEMBL2648933 0.79 NUDT1 (0.42) NUDT1LOXL2CYP1A2METAP2CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119390977-A Purple fine compound three-component doped electrochromic material and preparation method and application thereof 逸莱创(北京)智能材料科技有限公司 2025-02-07 CN claimed
CN-119390977-A Purple fine compound three-component doped electrochromic material and preparation method and application thereof 逸莱创(北京)智能材料科技有限公司 2025-02-07 CN disclosed
CN-118978478-A Tetradiphenyl pyridine derivative for electrochromic material as well as preparation method and application thereof 逸莱创(北京)智能材料科技有限公司 2024-11-19 CN disclosed