SCHEMBL19820129

SCHEMBL19820129

O=C(OCc1ccccc1)c1nc(I)nc(C(=O)OCc2ccccc2)c1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ MAPK1 P28482 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MMP2 P08253 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MMP12 P39900 2/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL19772868 0.84 TDP1 (0.53) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL24414086 0.84 MAPT (0.55) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL19820130 0.84 RAB9A (0.50) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL20757052 0.82 TDP1 (0.50) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL19820132 0.81 RAB9A (0.48) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL19820131 0.81 RAB9A (0.48) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL19820133 0.81 TDP1 (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL18608206 0.81 TDP1 (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL21125649 0.81 ADORA3 (0.49) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL18573740 0.80 RAB9A (0.48) TDP1KMT2ASLC6A2SLC6A3ALDH1A1

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
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