SCHEMBL9870077

SCHEMBL9870077

CCOC(=O)C(=CNc1ccc(F)cc1)C(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.55
NPSR1 Q6W5P4 5/20 0.53
MAPT P10636 8/20 0.53
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 5/20 0.45
GAA P10253 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CASP3 P42574 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL10374437 1.00 DHODH (0.55) DHODHNPSR1MAPTALDH1A1MEN1
SCHEMBL9870075 1.00 DHODH (0.55) DHODHNPSR1MAPTALDH1A1MEN1
SCHEMBL10372641 0.92 DHODH (0.54) DHODHNPSR1MAPTALDH1A1MEN1
SCHEMBL10372640 0.92 DHODH (0.54) DHODHNPSR1MAPTALDH1A1MEN1
SCHEMBL9204037 0.91 DHODH (0.57) DHODHNPSR1MAPTALDH1A1MEN1
SCHEMBL9562413 0.91 DHODH (0.57) DHODHNPSR1MAPTALDH1A1MEN1
SCHEMBL9381550 0.85 DHODH (0.54) DHODHNPSR1MAPTALDH1A1MEN1
SCHEMBL9381551 0.85 DHODH (0.54) DHODHNPSR1MAPTALDH1A1MEN1
SCHEMBL19728797 0.84 MEN1 (0.45) DHODHNPSR1MAPTALDH1A1MEN1
SCHEMBL7502747 0.84 DHODH (0.53) DHODHNPSR1MAPTALDH1A1MEN1

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
US-4981854-A BACTERICIDES, ANIMAL GROWTH REGUALTORS BAYER AKTIENGESELLSCHAFT (DE) 1991-01-01 US disclosed
US-4980353-A BACTERICIDES, ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1990-12-25 US disclosed
EP-0154780-B1 QUINOLINE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 1990-04-11 EP disclosed
EP-0201829-A1 1-Aryl-4-quinolone-3-carboxylic acids BAYER AG (DE) 1986-11-20 EP disclosed
EP-0154780-A1 Quinoline antibacterial compounds ABBOTT LABORATORIES (US) 1985-09-18 EP disclosed