SCHEMBL3398154

SCHEMBL3398154

Nc1ccccc1C(=O)c1cccc2c(C(=O)c3ccccc3N)cccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
GAA P10253 2/20 0.61
CDC25B P30305 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PRNP P04156 1/20 0.50
HSD17B10 Q99714 5/20 0.49
NSD2 O96028 2/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
ALDH1A1 P00352 4/20 0.48
CFTR P13569 1/20 0.48
RECQL P46063 1/20 0.46
MMP2 P08253 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CYP3A4 P08684 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44

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
SCHEMBL7912622 0.90 CDC25B (0.65) MAPTGAACDC25BNPC1RAB9A
SCHEMBL30790667 0.89 MAPT (0.74) MAPTGAANPC1RAB9AHSD17B10
SCHEMBL112507 0.89 MAPT (0.74) MAPTGAANPC1RAB9AHSD17B10
SCHEMBL28977093 0.86 GAA (0.47) MAPTGAACDC25BNPC1RAB9A
SCHEMBL8764887 0.86 MAPT (0.71) MAPTGAANPC1RAB9AHSD17B10
Ammonia Solution, Strong SCHEMBL10992665 0.86 MAPT (0.71) MAPTGAANPC1RAB9AHSD17B10
Hydrochloric Acid SCHEMBL11745887 0.86 MAPT (0.71) MAPTGAANPC1RAB9AHSD17B10
SCHEMBL3289236 0.83 MAPT (0.61) MAPTGAANPC1RAB9AHSD17B10
SCHEMBL4207253 0.81 MAPT (0.59) MAPTGAANPC1RAB9AHSD17B10
Hydrochloric Acid SCHEMBL9847483 0.81 MAPT (0.59) MAPTGAANPC1RAB9AHSD17B10

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
JP-2010070513-A AROMATIC DIAMINE COMPOUND, POLYAMIC ACID, POLYIMIDE RESIN AND OPTICAL ELEMENT CANON INC 2010-04-02 JP disclosed