SCHEMBL11516668

SCHEMBL11516668

C(=N/c1ccc2c3c(cccc13)CC2)\c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
HPGD P15428 8/20 0.57
MAPT P10636 7/20 0.57
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
KDM4E B2RXH2 7/20 0.57
GAA P10253 4/20 0.57
LMNA P02545 7/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 2/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SCN2A Q99250 2/20 0.43
DHODH Q02127 1/20 0.42
CHAT P28329 1/20 0.41
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
CA12 O43570 1/20 0.36

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
SCHEMBL11516669 1.00 ALDH1A1 (0.57) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL2544403 0.78 LMNA (0.50) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL2544406 0.78 LMNA (0.50) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL28123768 0.75 ALDH1A1 (0.52) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL12417102 0.72 DHODH (0.71) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL5363618 0.72 DHODH (0.71) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL10799444 0.72 DHODH (0.71) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL17241717 0.70 MEN1 (0.56) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL9010771 0.70 MAPT (0.49) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL1870853 0.68 LMNA (0.59) ALDH1A1HPGDMAPTMEN1KMT2A

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-4172721-A USING MONLAYER OF PARTICLES COMPRISING A RESIN CARRIER CONTAINING COLOR-PHOTOSENSITIVE MATERIAL AND A SOLID-FORM DYE MATERIAL XEROX CORPORATION (US) 1979-10-30 US disclosed