SCHEMBL8405058

SCHEMBL8405058

Cc1nc(-c2cccnc2)nn1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 2/20 0.50
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
CYP2A6 P11509 4/20 0.49
CYP2A13 Q16696 1/20 0.49
KLK3 P07288 1/20 0.48
PPARA Q07869 3/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
F2 P00734 1/20 0.47
KLK7 P49862 1/20 0.47

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
SCHEMBL11589724 0.86 NR1H2 (0.61) ALDH1A1MAPTTP53SMN1; SMN2HSD17B10
SCHEMBL11589058 0.82 NR1H2 (0.60) ALDH1A1MAPTTP53SMN1; SMN2HSD17B10
SCHEMBL1460117 0.81 PPARA (0.50) ALDH1A1MAPTTP53SMN1; SMN2HSD17B10
SCHEMBL1459030 0.81 ALDH1A1 (0.48) ALDH1A1MAPTTP53SMN1; SMN2HSD17B10
SCHEMBL11588467 0.80 NR1H2 (0.72) ALDH1A1TP53SMN1; SMN2HSD17B10LMNA
SCHEMBL16202035 0.80 NR1H3 (0.71) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL11592259 0.79 NR1H2 (0.60) ALDH1A1MAPTTP53SMN1; SMN2HSD17B10
SCHEMBL23153517 0.76 F12 (0.51) ALDH1A1MAPTSMN1; SMN2HSD17B10LMNA
Fepitrizol SCHEMBL2107850 0.76 USP1 (0.47) ALDH1A1MAPTSMN1; SMN2HSD17B10KDM4E
SCHEMBL14736530 0.75 PDE10A (0.48) ALDH1A1MAPTTP53SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36374-E 1,2,3-triazole and tetrazole substituted piperidine or tetrahydropyridine compounds useful as acetylcholine agonists H. LUNDBECK, A/S (DK) 1999-11-02 US disclosed
US-4925858-A NERVOUS SYSTEM DISORDERS, ALZHEIMER*S DISEASE H. LUNDBECK A/S (DK) 1990-05-15 US disclosed
US-4866077-A TREATMENT OF NERVOUS SYSTEM DISORDERS SUCH AS ALZHEIMER*S DISEASE H. LUNDBECK A/S (DK) 1989-09-12 US disclosed
EP-0296721-A2 Heterocyclic compounds H. LUNDBECK A/S (DK) 1988-12-28 EP disclosed