SCHEMBL31429972

SCHEMBL31429972

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

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
ACHE P22303 1/20 0.55
PDE5A O76074 8/20 0.54
MAPT P10636 2/20 0.53
GLA P06280 1/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
P2RX3 P56373 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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 0.90 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1LMNAACHEPDE5A
SCHEMBL31429935 0.88 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1LMNAACHEPDE5A
SCHEMBL31429952 0.87 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNAACHEPDE5A
SCHEMBL3565552 0.87 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1LMNAACHEPDE5A
SCHEMBL31429950 0.87 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNAACHEPDE5A
SCHEMBL31429953 0.84 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1LMNAACHEPDE5A
SCHEMBL9723620 0.81 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1LMNAACHEPDE5A
SCHEMBL31429966 0.81 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1LMNAACHEPDE5A
SCHEMBL31429962 0.81 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1LMNAACHEMAPT
SCHEMBL31429955 0.81 SMN1; SMN2 (0.56) 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