SCHEMBL31429935

SCHEMBL31429935

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
PDE5A O76074 6/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.51
NR3C2 P08235 1/20 0.47
ELANE P08246 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
ACHE P22303 2/20 0.43
GPR119 Q8TDV5 1/20 0.43
GAA P10253 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
P2RX3 P56373 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
SCHEMBL31429972 0.88 SMN1; SMN2 (0.60) SMN1; SMN2PDE5AALDH1A1LMNAMAPT
SCHEMBL31429950 0.87 SMN1; SMN2 (0.61) SMN1; SMN2PDE5AALDH1A1LMNAMAPT
SCHEMBL31429954 0.87 SMN1; SMN2 (0.64) SMN1; SMN2PDE5AALDH1A1LMNAMAPT
SCHEMBL31429952 0.84 SMN1; SMN2 (0.61) SMN1; SMN2PDE5AALDH1A1LMNAMAPT
SCHEMBL3565552 0.84 ALDH1A1 (0.74) SMN1; SMN2PDE5AALDH1A1LMNAMAPT
SCHEMBL31429953 0.82 SMN1; SMN2 (0.58) SMN1; SMN2PDE5AALDH1A1LMNAMAPT
SCHEMBL31429966 0.81 SMN1; SMN2 (0.59) SMN1; SMN2PDE5AALDH1A1LMNAMAPT
SCHEMBL31429955 0.80 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1LMNAMAPTNR3C2
SCHEMBL9723620 0.78 ALDH1A1 (0.65) SMN1; SMN2PDE5AALDH1A1LMNAMAPT
SCHEMBL31429962 0.78 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1LMNAMAPTACHE

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