SCHEMBL11056522

SCHEMBL11056522

Cc1cc(=O)n(-c2ccccc2)[nH]1.Nc1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.51
RAB9A P51151 6/20 0.51
TDP1 Q9NUW8 5/20 0.51
NPC1 O15118 4/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
MAPK1 P28482 3/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
KMT2A Q03164 11/20 0.50
MEN1 O00255 9/20 0.50
POLB P06746 3/20 0.50
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 4/20 0.49
HTT P42858 3/20 0.49
GAA P10253 2/20 0.49

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
SCHEMBL11056520 1.00 MAPT (0.51) MAPTRAB9ATDP1NPC1L3MBTL1
SCHEMBL11119546 0.86 MAPT (0.51) MAPTRAB9ATDP1NPC1L3MBTL1
SCHEMBL8166341 0.82 ALDH1A1 (0.69) MAPTRAB9ATDP1NPC1L3MBTL1
SCHEMBL11062274 0.82 ALDH1A1 (0.50) MAPTTDP1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL5425653 0.82 ALDH1A1 (0.68) MAPTTDP1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL9150171 0.82 ALDH1A1 (0.68) MAPTTDP1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL34121 0.82 ALDH1A1 (0.68) MAPTTDP1L3MBTL1SMN1; SMN2KMT2A
Dapsone SCHEMBL11064190 0.81 ALDH1A1 (0.49) MAPTTDP1L3MBTL1SMN1; SMN2CYP2C9
Methyl Alcohol SCHEMBL1028813 0.79 MAPT (0.69) MAPTTDP1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL11055655 0.78 MAPK1 (0.62) MAPTRAB9ATDP1NPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034725-B1 DYESTUFFS CONTAINING IMIDAZOLYLETHYLENE GROUPS AND THEIR USE BASF Aktiengesellschaft (DE) 1984-07-25 EP disclosed
US-4451398-A Dyes containing imidazolymethylene groups BASF AKTIENGESELLSCHAFT (DE) 1984-05-29 US disclosed
EP-0034725-A2 Dyestuffs containing imidazolylethylene groups and their use BASF Aktiengesellschaft (DE) 1981-09-02 EP disclosed