SCHEMBL20154166

SCHEMBL20154166

Cc1c(C(=O)OCc2ccccc2)c(C(=O)OCc2ccccc2)c(C(=O)OCc2ccccc2)n1C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
TDP1 Q9NUW8 4/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
ALDH1A1 P00352 5/20 0.53
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
LMNA P02545 3/20 0.50
HPGD P15428 2/20 0.48
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 3/20 0.44
KDM4E B2RXH2 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
SCHEMBL19928034 0.91 MAPT (0.57) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL8911150 0.85 RAB9A (0.57) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL22327485 0.84 MAPT (0.51) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL17965761 0.79 TDP1 (0.61) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL29171664 0.78 KMT2A (0.56) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL20154183 0.76 RAB9A (0.51) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL6068448 0.74 TDP1 (0.59) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL23505923 0.74 KMT2A (0.55) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL20154175 0.74 KMT2A (0.67) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL18904682 0.74 RAB9A (0.55) KMT2ATDP1SLC6A2SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538512-B1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2021-06-16 EP disclosed
WO-2021018839-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PARASITIC INFECTIONS BAYER ANIMAL HEALTH GMBH (DE) 2021-02-04 WO disclosed
WO-2019066250-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2019-04-04 WO disclosed
WO-2019002132-A1 NEW AZAQUINOLINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2019-01-03 WO disclosed
WO-2018087036-A1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2018-05-17 WO disclosed