SCHEMBL9324352

SCHEMBL9324352

CCN(CCNC(=O)c1ccc([N+](=O)[O-])cc1)CC(C)c1ccsc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ TMEM97 Q5BJF2 2/20 0.46
▸ SIGMAR1 Q99720 2/20 0.46
▸ SLC22A2 O15244 1/20 0.44
▸ SLC22A1 O15245 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ BLM P54132 2/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ RAB9A P51151 4/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ NFKB1 P19838 1/20 0.42

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
SCHEMBL9325793 0.86 ALDH1A1 (0.62) ALDH1A1LMNAKDM4ETMEM97SIGMAR1
SCHEMBL3570124 0.81 LMNA (0.65) ALDH1A1MAPTLMNAKDM4EUSP2
Hydrochloric Acid SCHEMBL9053101 0.79 LMNA (0.66) ALDH1A1MAPTLMNAKDM4EUSP2
SCHEMBL7037787 0.78 LMNA (0.62) ALDH1A1MAPTLMNAKDM4EUSP2
SCHEMBL9324328 0.77 TMEM97 (0.48) ALDH1A1MAPTLMNAKDM4EUSP2
SCHEMBL4337942 0.75 MAPT (0.55) ALDH1A1MAPTLMNAKDM4EUSP2
SCHEMBL7915502 0.75 TMEM97 (0.60) ALDH1A1MAPTLMNAKDM4EUSP2
SCHEMBL9827447 0.74 RAB9A (0.60) ALDH1A1MAPTLMNAKDM4EUSP2
SCHEMBL7916132 0.74 PRMT5 (0.64) ALDH1A1MAPTLMNAKDM4EUSP2
SCHEMBL10897096 0.73 TMEM97 (0.54) ALDH1A1MAPTLMNAKDM4EUSP2

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
US-5310941-A Antiarrythmia agents ORTHO PHARMACEUTICAL CORPORATION (US) 1994-05-10 — — US disclosed
US-5208252-A Antiarrhythmia ORTHO PHARMACEUTICAL CORPORATION (US) 1993-05-04 — — US disclosed
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