SCHEMBL29619013

SCHEMBL29619013

Cc1noc(C)c1-c1cc([N+](=O)[O-])ccc1OCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.48
BRD2 P25440 2/20 0.48
BRD3 Q15059 2/20 0.48
MAPT P10636 1/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 4/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 2/20 0.44
CYP2D6 P10635 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
CREBBP Q92793 2/20 0.42
PIK3CD O00329 2/20 0.42
PIK3R1 P27986 2/20 0.42
PIK3CB P42338 2/20 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
SCHEMBL29619010 0.92 MAPT (0.46) BRD4BRD2BRD3MAPTALDH1A1
SCHEMBL31663795 0.87 SMN1; SMN2 (0.48) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL29619004 0.83 BRD4 (0.49) BRD4BRD2BRD3ALDH1A1NPC1
SCHEMBL24398702 0.81 MEN1 (0.46) BRD4MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL29619095 0.81 MEN1 (0.46) BRD4MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL1166226 0.80 HTR2A (0.60)
SCHEMBL3214392 0.78 NPC1 (0.55) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL30373962 0.78 LTA4H (0.50) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL26089876 0.78 LTA4H (0.50) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL29619121 0.78 ALDH1A1 (0.43) BRD4ALDH1A1RAB9AKMT2ALMNA

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