SCHEMBL8952972

SCHEMBL8952972

Cc1nc2c(C(=O)O)c(C(=O)O)ccc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36

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
SCHEMBL8952781 0.80 KMT2A (0.45) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL6922941 0.79 PARP1 (0.46) KDM4EALDH1A1MCL1HPGDHSD17B10
SCHEMBL8953726 0.77 NPC1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8952965 0.76 TNF (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8952902 0.72 HCAR3 (0.47) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL5901235 0.71 MAPT (0.44) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL8953154 0.70 KDM4E (0.45) RAB9ANPC1KDM4EMAPTKMT2A
SCHEMBL19207103 0.70 DHODH (0.45) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL6502331 0.70 NPC1 (0.43) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL21905308 0.69 DHODH (0.58) HDAC1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523279-A COMPOSITION FOR CONTROLLING MONOCOTYLEDENOUS AND DICOTYLEDENOUS PLANT SPECIES AMERICAN CYANAMID COMPANY (US) 1996-06-04 US disclosed
US-5516751-A NONPHYTOTOXIC; SUGAR BEETS, SOYBEANS AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed
EP-0474991-B1 Herbicidal 2-(2-imidazolin -2-yl)-benzazoles AMERICAN CYANAMID CO (US) 1995-10-18 EP disclosed
US-5453415-A To control monocotyledons and dicotyledones; apply to foilage, soil, or water containing seeds; pre-and post-emergence AMERICAN CYANAMID COMPANY (US) 1995-09-26 US disclosed
US-5300479-A Pre-and postemergence herbicides AMERICAN CYANAMID COMPANY (US) 1994-04-05 US disclosed
US-5108485-A Controlling monocotyledonous and dicotyledonous plants AMERICAN CYANAMID COMPANY (US) 1992-04-28 US disclosed
EP-0474991-A1 Herbicidal 2-(2-imidazolin -2-yl)-benzazoles AMERICAN CYANAMID COMPANY (US) 1992-03-18 EP disclosed