SCHEMBL6996948

SCHEMBL6996948

COc1ccccc1C(=O)N=C=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.50
HPGD P15428 3/20 0.47
ALDH1A1 P00352 1/20 0.47
STAT3 P40763 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
HTT P42858 2/20 0.46
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 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
Cyanate SCHEMBL8557386 0.91 CTSD (0.43) CTSDHPGDALDH1A1STAT3NPC1
SCHEMBL8557389 0.89 CTSD (0.42) CTSDHPGDALDH1A1STAT3NPC1
SCHEMBL28358167 0.85 CA12 (0.41) CTSDHTTKCNK3KCNK9
SCHEMBL5824394 0.84 CTSD (0.49) CTSDHPGDALDH1A1STAT3NPC1
SCHEMBL1043130 0.83 PTGS2 (0.59) HPGDALDH1A1TSHRMAPK1HSD17B10
SCHEMBL6276558 0.81 ABCG2 (0.46) CTSDHPGDALDH1A1STAT3NPC1
SCHEMBL9731758 0.81 IRAK4 (0.58) HPGDALDH1A1KCNK3KCNK9HSD17B10
SCHEMBL9731442 0.81 HCRTR1 (0.54) HPGDALDH1A1RAB9AHTTKCNK3
SCHEMBL3395153 0.80 ALDH1A1 (0.42) HPGDALDH1A1NPC1SMN1; SMN2GAA
SCHEMBL11006546 0.80 CA12 (0.55) HPGDALDH1A1SMN1; SMN2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 US disclosed
US-6020368-A MICROBIOCIDES HINKS JEREMY DAVID (US) 2000-02-01 US disclosed
EP-0497367-B1 Thiazoline derivatives, processes for their preparation and pesticidal compositions containing them UBE INDUSTRIES (JP) 1996-07-24 EP disclosed
US-5221685-A Insecticides, miticides or fungicides UBE INDUSTRIES, LTD. (JP) 1993-06-22 US disclosed
EP-0497367-A1 Thiazoline derivatives, processes for their preparation and pesticidal compositions containing them UBE INDUSTRIES, LTD. (JP) 1992-08-05 EP disclosed
US-5106843-A Treatment of migraine, emesis, anxiety, gastrointestinal disorders, psychological disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-21 US disclosed
EP-0323077-B1 HETEROCYCLIC COMPOUNDS JOHN WYETH & BROTHER LIMITED (GB) 1991-09-11 EP disclosed
US-4983600-A Antiemetics, antianxiety agents, gastrointestinal disorders JOHN WYETH & BROTHER LIMITED (GB) 1991-01-08 US disclosed
EP-0323077-A1 Heterocyclic compounds JOHN WYETH & BROTHER LIMITED (GB) 1989-07-05 EP disclosed