SCHEMBL31429950

SCHEMBL31429950

CCOC(=O)C1=NN(c2ccc(F)cc2)C(c2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ NR3C2 P08235 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.59
▸ LMNA P02545 1/20 0.59
▸ ACHE P22303 4/20 0.49
▸ BCHE P06276 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ GAA P10253 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ PDE5A O76074 2/20 0.45

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
SCHEMBL31429954 0.91 SMN1; SMN2 (0.64) SMN1; SMN2NR3C2ALDH1A1LMNAACHE
SCHEMBL31429952 0.88 SMN1; SMN2 (0.61) SMN1; SMN2NR3C2ALDH1A1LMNAACHE
SCHEMBL3565552 0.88 ALDH1A1 (0.74) SMN1; SMN2NR3C2ALDH1A1LMNAACHE
SCHEMBL31429972 0.87 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1LMNAACHEMAPT
SCHEMBL31429935 0.87 SMN1; SMN2 (0.57) SMN1; SMN2NR3C2ALDH1A1LMNAACHE
SCHEMBL31429955 0.86 SMN1; SMN2 (0.56) SMN1; SMN2NR3C2ALDH1A1LMNAACHE
SCHEMBL31429953 0.85 SMN1; SMN2 (0.58) SMN1; SMN2NR3C2ALDH1A1LMNAACHE
SCHEMBL9723620 0.82 ALDH1A1 (0.65) SMN1; SMN2NR3C2ALDH1A1LMNAACHE
SCHEMBL31429966 0.82 SMN1; SMN2 (0.59) SMN1; SMN2NR3C2ALDH1A1LMNAACHE
SCHEMBL15945276 0.81 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1LMNAACHEMAPT

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-119698496-A Electrochemical synthesis of pyrazolines and pyrazoles 拜耳公司 2025-03-25 — — CN disclosed
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