SCHEMBL9366963

SCHEMBL9366963

N#CC1C=Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.67
▸ LMNA P02545 3/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ TSHR P16473 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ BCHE P06276 1/20 0.45
▸ P2RX4 Q99571 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ P2RY1 P47900 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ MGAM O43451 1/20 0.39
▸ AMY1A P0DUB6 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL8342494 0.85 LMNA (0.75) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9369302 0.84 LMNA (0.78) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9365388 0.83 LMNA (0.72) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9365789 0.83 KMT2A (0.72) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8342323 0.83 LMNA (0.72) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL29624123 0.83 KMT2A (0.72) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4431508 0.82 LMNA (0.54) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9365701 0.80 LMNA (0.79) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8342786 0.80 LMNA (0.68) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8343305 0.80 LMNA (0.68) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579695-A1 REISSERT COMPOUNDS AS ANTI-HIV AGENTS THE UPJOHN COMPANY (US) 1994-01-26 — — EP disclosed
WO-1992016508-A1 REISSERT COMPOUNDS AS ANTI-HIV AGENTS THE UPJOHN COMPANY (US) 1992-10-01 — — WO disclosed
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