SCHEMBL26936604

SCHEMBL26936604

C=CNc1ccc(CCCC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.51
THRB P10828 4/20 0.51
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 4/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CRHBP P24387 1/20 0.46
HTT P42858 1/20 0.46
CRHR2 Q13324 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL5518347 0.81 HPGD (0.51) THRATHRBHPGDPOLBALDH1A1
SCHEMBL13373993 0.79 CYP2A6 (0.46) CYP3A4CYP2D6CYP2C9HPGDPOLB
SCHEMBL31497267 0.78 THRA (0.53) THRATHRBHPGDPOLBALDH1A1
SCHEMBL2098521 0.78 HPGD (0.51) THRATHRBCYP3A4HPGDPOLB
SCHEMBL14127779 0.77 HPGD (0.58) HPGDPOLBALDH1A1NPSR1HTT
SCHEMBL48879 0.77 HPGD (0.58) HPGDPOLBALDH1A1NPSR1HTT
SCHEMBL83869 0.76 CA2 (0.65) THRATHRBCYP3A4HPGDALDH1A1
SCHEMBL2089168 0.76 THRA (0.54) THRATHRBCYP3A4ALDH1A1CA2
SCHEMBL2098522 0.75 PLK1 (0.53) CYP3A4HPGDPOLBALDH1A1NPC1
SCHEMBL28219009 0.74 HPGD (0.49) THRATHRBHPGDPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289427-A1 DIHYDRO[1,8]NAPHTHYRIDIN-7-ONE AND PYRIDO[3,2-B][1,4]OXAZIN-3-ONE FOR USE IN TREATING CANCER, AND METASTASES IN PARTICULAR. Anagenesis Biotechnologies (FR) 2023-12-13 EP disclosed