SCHEMBL6184331

SCHEMBL6184331

COC(=O)Nc1nc2ccccc2n1C(=O)NC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
TSHR P16473 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
CNR2 P34972 2/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ASAH1 Q13510 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL202952 0.85 ALDH1A1 (0.68) ALDH1A1TSHRL3MBTL1RAB9ANPC1
SCHEMBL11392284 0.83 TSHR (0.54) ALDH1A1TSHRL3MBTL1RAB9ANPC1
SCHEMBL9578721 0.83 ALDH1A1 (0.65) ALDH1A1TSHRL3MBTL1RAB9ANPC1
SCHEMBL11177029 0.82 TSHR (0.64) ALDH1A1TSHRL3MBTL1RAB9ANPC1
SCHEMBL9578798 0.82 TSHR (0.78) ALDH1A1TSHRL3MBTL1RAB9ANPC1
SCHEMBL11833650 0.81 ALDH1A1 (0.62) ALDH1A1TSHRL3MBTL1RAB9ANPC1
SCHEMBL205803 0.80 TSHR (0.87) ALDH1A1TSHRL3MBTL1RAB9ACNR2
SCHEMBL10699989 0.79 ALDH1A1 (0.70) ALDH1A1TSHRL3MBTL1RAB9ANPC1
SCHEMBL203506 0.79 ALDH1A1 (0.60) ALDH1A1TSHRL3MBTL1RAB9ANPC1
SCHEMBL14198645 0.78 TSHR (0.65) ALDH1A1TSHRL3MBTL1RAB9ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1160244-B1 Isoxazole derivatives and their use as herbicides BAYER AGRICULTURE LTD (GB) 2005-10-19 EP disclosed
EP-0636622-B1 Isoxazole derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-23 EP disclosed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP disclosed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US disclosed
WO-1995025105-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD (GB) 1995-09-21 WO disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed