SCHEMBL20154271

SCHEMBL20154271

Cc1c(C(=O)OCc2ccccc2)sc(C(=O)OCc2ccccc2)c1C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
TSHR P16473 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TDP1 Q9NUW8 3/20 0.58
KMT2A Q03164 2/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
ALDH1A1 P00352 7/20 0.55
LMNA P02545 1/20 0.53
MAPK1 P28482 4/20 0.51
NPC1 O15118 3/20 0.51
MAPT P10636 2/20 0.51
STAT1 P42224 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.51
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL20711150 0.89 RAB9A (0.53) RAB9ATSHRSMN1; SMN2TDP1KMT2A
SCHEMBL11094064 0.84 TDP1 (0.59) RAB9ATSHRSMN1; SMN2TDP1KMT2A
SCHEMBL20154269 0.83 RAB9A (0.53) RAB9ATSHRSMN1; SMN2TDP1KMT2A
SCHEMBL6030751 0.82 ALDH1A1 (0.57) RAB9ATSHRSMN1; SMN2TDP1KMT2A
SCHEMBL20711149 0.82 RAB9A (0.52) RAB9ATSHRSMN1; SMN2TDP1KMT2A
SCHEMBL7023449 0.80 MAPT (0.72) RAB9ASMN1; SMN2TDP1KMT2AALDH1A1
SCHEMBL21550516 0.80 RAB9A (0.71) RAB9ATSHRSMN1; SMN2TDP1KMT2A
SCHEMBL20154221 0.80 RAB9A (0.56) RAB9ATSHRSMN1; SMN2TDP1KMT2A
SCHEMBL11369068 0.79 TDP1 (0.58) RAB9ATSHRSMN1; SMN2TDP1KMT2A
SCHEMBL11689275 0.79 NPC1 (0.64) RAB9ATSHRSMN1; SMN2TDP1KMT2A

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 4 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-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