SCHEMBL19245652

SCHEMBL19245652

Cc1ccc(CCNCc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.74
MAPT P10636 1/20 0.74
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
BCHE P06276 3/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CA4 P22748 1/20 0.58
SIGMAR1 Q99720 3/20 0.58
CHRM2 P08172 1/20 0.58
ATM Q13315 1/20 0.58
MAOA P21397 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LTA4H P09960 1/20 0.53

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
SCHEMBL31177919 0.92 CA1 (0.69) GAAMAPTCA12CA1CA2
SCHEMBL11881942 0.92 CA1 (0.69) GAAMAPTCA12CA1CA2
SCHEMBL9973111 0.90 MEN1 (0.74) GAAMAPTMEN1KMT2ATDP1
SCHEMBL3272134 0.90 GAA (0.91) GAAMAPTCA12CA1CA2
SCHEMBL11881258 0.90 GAA (0.91) GAAMAPTCA12CA1CA2
SCHEMBL9523764 0.89 SIGMAR1 (0.70) GAAMAPTBCHEMEN1KMT2A
SCHEMBL9375124 0.89 SIGMAR1 (0.73) GAAMAPTBCHESIGMAR1CHRM2
SCHEMBL27228 0.88 GAA (0.95) GAAMAPTCA12CA1CA2
SCHEMBL598880 0.87 GAA (0.57) GAAMAPTCA12CA1CA2
SCHEMBL597987 0.87 CA1 (0.69) GAAMAPTCA12CA1CA2

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-2017137784-A1 METHOD FOR THE PRODUCTION OF MORPHOLOGICALLY HOMOGENOUS MIRABEGRON AND MIRABEGRON MONOHYDROCHLORIDE EGIS GYÓGYSZERGYÁR ZRT. (HU) 2017-08-17 WO disclosed