SCHEMBL11737101

SCHEMBL11737101

O=C1N=COC1Cc1ccccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
KMT2A Q03164 1/20 0.39
CYP26A1 O43174 1/20 0.39
FOLH1 Q04609 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KCNA5 P22460 2/20 0.34
KCNH2 Q12809 2/20 0.34
CTRC Q99895 1/20 0.33
BRD4 O60885 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE3A Q14432 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
SCHEMBL11738429 0.79 ADORA2A (0.39) KMT2A
SCHEMBL27614989 0.66 DPP4 (0.48) DPP4KMT2ACYP26A1FOLH1CYP11B1
Hydrogen Sulfide SCHEMBL27879825 0.65 DPP4 (0.47) DPP4KMT2ACYP26A1FOLH1CYP11B1
Ammonia Solution, Strong SCHEMBL28371571 0.65 DPP4 (0.47) DPP4KMT2ACYP26A1FOLH1CYP11B1
SCHEMBL11737087 0.65 ALDH1A1 (0.52) DPP4KMT2ACYP26A1SLC6A2SLC6A4
SCHEMBL328862 0.63 DPP4 (0.60) DPP4KMT2AFOLH1CYP11B1CYP11B2
SCHEMBL155695 0.63 DPP4 (0.60) DPP4KMT2AFOLH1CYP11B1CYP11B2
SCHEMBL31261742 0.63 DPP4 (0.60) DPP4KMT2AFOLH1CYP11B1CYP11B2
SCHEMBL2841431 0.62 DPP4 (0.65) DPP4KMT2AFOLH1CYP11B1CYP11B2
SCHEMBL11333152 0.62 DPP4 (0.65) DPP4KMT2AFOLH1CYP11B1CYP11B2

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
US-4062862-A MUSCLE RELAXANT NIPPON CHEMIPHAR CO., LTD. (JA) 1977-12-13 US disclosed