SCHEMBL20101098

SCHEMBL20101098

C/C(=N\Nc1ccccn1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.73
RAB9A P51151 7/20 0.73
GAA P10253 6/20 0.73
NPC1 O15118 6/20 0.73
SMN1; SMN2 Q16637 4/20 0.73
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
HTT P42858 2/20 0.71
L3MBTL1 Q9Y468 1/20 0.63
ALDH1A1 P00352 4/20 0.52
PAX8 Q06710 2/20 0.48
POLB P06746 1/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.46
NTSR1 P30989 1/20 0.46
ATM Q13315 1/20 0.46
KDM6B O15054 1/20 0.46
TET3 O43151 1/20 0.46
KDM4A O75164 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
SCHEMBL6715790 0.83 PAX8 (0.67) MAPTRAB9AGAANPC1SMN1; SMN2
SCHEMBL20101085 0.83 PAX8 (0.67) MAPTRAB9AGAANPC1SMN1; SMN2
SCHEMBL6715793 0.83 PAX8 (0.67) MAPTRAB9AGAANPC1SMN1; SMN2
SCHEMBL15267189 0.82 KDM4E (0.58) MAPTRAB9AGAANPC1SMN1; SMN2
SCHEMBL1973299 0.82 RAB9A (0.59) MAPTRAB9AGAANPC1SMN1; SMN2
SCHEMBL21764330 0.79 MAPT (0.52) MAPTRAB9AGAANPC1SMN1; SMN2
SCHEMBL7831618 0.79 RAB9A (0.56) MAPTRAB9AGAANPC1SMN1; SMN2
SCHEMBL20101080 0.77 KDM4E (0.72) MAPTRAB9AGAANPC1SMN1; SMN2
SCHEMBL4926318 0.77 KDM4E (0.72) MAPTRAB9AGAANPC1SMN1; SMN2
SCHEMBL28689206 0.76 RAB9A (0.54) MAPTRAB9AGAANPC1SMN1; SMN2

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-2018081612-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ACTAVALON, INC. (US) 2018-05-03 WO disclosed