SCHEMBL29619010

SCHEMBL29619010

Cc1noc(C)c1-c1cc([N+](=O)[O-])ccc1OCCN1CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
BRD4 O60885 3/20 0.45
BRD2 P25440 2/20 0.45
BRD3 Q15059 2/20 0.45
ALDH1A1 P00352 7/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
LTA4H P09960 2/20 0.44
PTGS2 P35354 2/20 0.44
PTGS1 P23219 1/20 0.44
KDM4E B2RXH2 6/20 0.42
TDP1 Q9NUW8 2/20 0.42
PDE5A O76074 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
SRC P12931 1/20 0.39
AKR1C3 P42330 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
MCHR1 Q99705 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
SCHEMBL29619013 0.92 BRD4 (0.48) MAPTBRD4BRD2BRD3ALDH1A1
SCHEMBL30373962 0.83 LTA4H (0.50) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL26089876 0.83 LTA4H (0.50) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL24398702 0.83 MEN1 (0.46) MAPTBRD4ALDH1A1MEN1KMT2A
SCHEMBL29619095 0.83 MEN1 (0.46) MAPTBRD4ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL26090978 0.82 LTA4H (0.49) MAPTALDH1A1MEN1LMNAKMT2A
Hydrochloric Acid SCHEMBL30373901 0.82 LTA4H (0.49) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL24398370 0.80 BRD4 (0.47) BRD4BRD2BRD3MEN1KMT2A
SCHEMBL29619121 0.79 ALDH1A1 (0.43) BRD4ALDH1A1MEN1LMNAKMT2A
SCHEMBL29619131 0.79 PDE5A (0.36) MAPTBRD4BRD2BRD3ALDH1A1

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-4236942-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2023-09-06 EP disclosed
WO-2022093850-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2022-05-05 WO disclosed