SCHEMBL807957

SCHEMBL807957

C=C(/N=C(N)\N=C(/N)c1noc(C2CCN(S(=O)(=O)C3CC3)CC2)n1)Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.41
SMO Q99835 2/20 0.37
GAA P10253 3/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32

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
SCHEMBL10287790 0.90 LMNA (0.38) LMNASMOGAATSHRHSD17B10
SCHEMBL10287788 0.89 LMNA (0.38) LMNASMOGAATSHRHSD17B10
SCHEMBL807958 0.86 LMNA (0.36) LMNASMOGAATSHRHSD17B10
SCHEMBL10286918 0.83 GAA (0.39) LMNASMOGAATSHRHSD17B10
SCHEMBL808223 0.74 LMNA (0.43) LMNASMOGAATSHRHSD17B10
SCHEMBL10286916 0.73 ALDH1A1 (0.38) LMNASMOGAATSHRHSD17B10
SCHEMBL808022 0.68 LMNA (0.35) LMNAGAATSHRHSD17B10SMN1; SMN2
SCHEMBL795398 0.67 LMNA (0.44) LMNASMOGAATSHRHSD17B10
SCHEMBL807935 0.67 SMN1; SMN2 (0.41) LMNASMOGAATSHRSMN1; SMN2
SCHEMBL807956 0.66 PRCP (0.35) SMOGAAALDH1A1MAPTCYP2C9

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
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed