SCHEMBL21747478

SCHEMBL21747478

Cc1ccc2cc(-c3ccccc3[N+](=O)[O-])oc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.57
ALDH1A1 P00352 5/20 0.56
LMNA P02545 3/20 0.56
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
GAA P10253 2/20 0.50
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 1/20 0.50
GABRE P78334 1/20 0.50
GABRA6 Q16445 1/20 0.50
GABRG1 Q8N1C3 1/20 0.50

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
SCHEMBL8547983 0.89 MAOB (0.72) MAOBALDH1A1LMNAKMT2AMEN1
SCHEMBL9754513 0.84 ALDH1A1 (0.67) MAOBALDH1A1LMNAKMT2AMEN1
SCHEMBL21747480 0.80 ALDH1A1 (0.52) MAOBALDH1A1LMNAKMT2AMEN1
SCHEMBL16894626 0.80 ALDH1A1 (0.74) MAOBALDH1A1LMNAKMT2AMEN1
SCHEMBL27106348 0.75 MAOB (0.49) MAOBALDH1A1MAOAPOLBCYP3A4
SCHEMBL11711571 0.75 MAOB (0.57) MAOBALDH1A1KMT2AMEN1NPC1
SCHEMBL3051786 0.73 MMP2 (0.61) MAOBALDH1A1KMT2AMEN1GAA
SCHEMBL14231752 0.73 MAOB (0.50) MAOBALDH1A1MAOAMAPTPDE4B
SCHEMBL9571333 0.72 GABRP (0.53) MAOBALDH1A1LMNAKMT2AMEN1
SCHEMBL1459318 0.71 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AMEN1GAA

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-3613735-B1 NOVEL SIRT 1 ACTIVATOR AND MEDICINAL USE THEREOF NAT UNIV PUSAN IND UNIV COOP FOUND (KR) 2023-04-12 EP disclosed
EP-3613735-A1 NOVEL SIRT 1 ACTIVATOR AND MEDICINAL USE THEREOF Pusan National University Industry - University Cooperation Foundation (KR) 2020-02-26 EP disclosed