SCHEMBL8952965

SCHEMBL8952965

Cc1nc2c(C(=O)O)c(C(=O)O)ccc2n1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.50
NOTUM Q6P988 2/20 0.48
HTR6 P50406 1/20 0.46
DCTPP1 Q9H773 1/20 0.46
BRD4 O60885 2/20 0.45
CCR2 P41597 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
PIK3C2B O00750 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
FABP4 P15090 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL8952733 0.90 TNF (0.46) TNFNOTUMHTR6DCTPP1BRD4
SCHEMBL1080943 0.84 TNF (0.47) TNFHTR6DCTPP1BRD4LMNA
SCHEMBL8952781 0.83 KMT2A (0.45) LMNATSHRSMN1; SMN2POLBKDM4E
SCHEMBL8952676 0.83 ALDH1A1 (0.52) TNFHTR6DCTPP1BRD4LMNA
SCHEMBL9212662 0.80 PPARG (0.39) TNFHTR6DCTPP1BRD4KDM4E
SCHEMBL8953096 0.80 PPARG (0.39) TNFNOTUMHTR6BRD4KDM4E
SCHEMBL1082621 0.77 ALDH1A1 (0.51) TNFHTR6DCTPP1BRD4LMNA
SCHEMBL8952972 0.76 GABRP (0.38) SMN1; SMN2POLBKDM4EHPGDMEN1
SCHEMBL8953154 0.74 KDM4E (0.45) TSHRKDM4EKMT2A
SCHEMBL7975722 0.73 TNF (0.60) TNFHTR6DCTPP1BRD4KDM4E

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