SCHEMBL19820140

SCHEMBL19820140

Cc1nc(C(=O)OCc2ccccc2)c(C(=O)OCc2ccccc2)nc1I

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.51
KMT2A Q03164 3/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
RAB9A P51151 4/20 0.51
TSHR P16473 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 7/20 0.49
LMNA P02545 2/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MAOB P27338 2/20 0.47
ADORA2A P29274 2/20 0.47
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
NPY1R P25929 1/20 0.45
RECQL P46063 1/20 0.45
NPY2R P49146 1/20 0.45
PKM P14618 1/20 0.44
HTT P42858 1/20 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
SCHEMBL19928470 0.88 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL21572853 0.87 TDP1 (0.58) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL19820130 0.82 RAB9A (0.50) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL26393220 0.82 ADORA3 (0.49) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL17657660 0.82 TDP1 (0.51) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL19684946 0.81 TDP1 (0.47) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL20793272 0.81 RAB9A (0.48) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL20757441 0.81 TDP1 (0.47) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL20841385 0.81 RAB9A (0.48) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL21012845 0.81 RAB9A (0.48) TDP1KMT2ASLC6A2SLC6A3RAB9A

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-9882143-B2 Amine-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-30 US disclosed