SCHEMBL9493952

SCHEMBL9493952

Cc1ccc(NN2C=C(C(N)=O)C=CC2)c(C)c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 2/20 0.31
POLB P06746 2/20 0.30
KDM4E B2RXH2 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9499268 0.90 POLB (0.32) ALDH1A1TDP1POLB
SCHEMBL9494676 0.79 CISD2 (0.31) KDM4E
SCHEMBL5252940 0.78 RAB9A (0.44) ALDH1A1LMNAATMSMN1; SMN2TDP1
SCHEMBL9493946 0.74 LMNA (0.34) ALDH1A1LMNAATMSMN1; SMN2TDP1
SCHEMBL9499264 0.68 TSHR (0.35) ALDH1A1LMNASMN1; SMN2TDP1POLB
SCHEMBL9496610 0.67 MAPT (0.47) ALDH1A1LMNAATMSMN1; SMN2TDP1
SCHEMBL10969677 0.65 KMT2A (0.47) ALDH1A1LMNASMN1; SMN2TDP1POLB
SCHEMBL9495474 0.65 RAB9A (0.40) ALDH1A1LMNAATMSMN1; SMN2POLB
SCHEMBL3347421 0.65 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TDP1POLBKDM4E
SCHEMBL9494442 0.63 NPC1 (0.40) ALDH1A1LMNASMN1; SMN2KDM4E

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
US-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed