SCHEMBL287221

SCHEMBL287221

O=CCc1cncc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CYP19A1 P11511 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL3717744 0.87 SMN1; SMN2 (0.36) SMN1; SMN2POLBTSHRALDH1A1LMNA
SCHEMBL7674650 0.81 TSHR (0.39) SMN1; SMN2POLBTSHRALDH1A1LMNA
SCHEMBL5116443 0.79 GAA (0.40) SMN1; SMN2POLBTSHRALDH1A1HTT
SCHEMBL12466487 0.79 SMN1; SMN2 (0.38) SMN1; SMN2POLBTSHRALDH1A1LMNA
SCHEMBL28094372 0.79 POLB (0.44) SMN1; SMN2POLBTSHRALDH1A1LMNA
SCHEMBL19766404 0.78 CYP19A1 (0.52) SMN1; SMN2POLBTSHRALDH1A1LMNA
SCHEMBL5252228 0.77 CYP19A1 (0.55) SMN1; SMN2TSHRALDH1A1LMNAHTT
SCHEMBL24534037 0.75 ALDH1A1 (0.39) SMN1; SMN2POLBTSHRALDH1A1LMNA
SCHEMBL14782135 0.74 POLB (0.49) SMN1; SMN2POLBTSHRALDH1A1LMNA
Ethylene SCHEMBL28777120 0.73 CYP19A1 (0.50) SMN1; SMN2TSHRALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127301-A1 4-PHENYL-N-(PHENYL)THIAZOL-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 WO disclosed
EP-2427437-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed