SCHEMBL8484239

SCHEMBL8484239

O=C(CBr)Nc1ccc(F)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 1/20 0.49
KDM4E B2RXH2 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
DHODH Q02127 4/20 0.47
POLB P06746 2/20 0.47
KEAP1 Q14145 1/20 0.46
PKM P14618 1/20 0.46
MPO P05164 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
HCAR2 Q8TDS4 2/20 0.44
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
HSD17B10 Q99714 2/20 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
SCHEMBL8689054 0.87 GRIK1 (0.48) KCNK2KDM4EPOLBKEAP1PKM
SCHEMBL16854334 0.84 KDM4E (0.55) KCNK2KDM4ETDP1DHODHPOLB
SCHEMBL8688878 0.83 KMT2A (0.55) KDM4ETDP1POLBPKMALDH1A1
SCHEMBL8689243 0.82 TDP1 (0.68) KCNK2KDM4ETDP1POLBALDH1A1
SCHEMBL30938481 0.81 RAB9A (0.59) TDP1POLBPKMALDH1A1GAA
SCHEMBL6036198 0.81 RAB9A (0.59) TDP1POLBPKMALDH1A1GAA
SCHEMBL8482804 0.81 KDM4E (0.64) KDM4EPOLBALDH1A1GAAMAPT
SCHEMBL28007482 0.80 CA1 (0.51) POLBPKMALDH1A1GAAMAPT
SCHEMBL8691883 0.80 STING1 (0.42) KCNK2KDM4ETDP1POLBPKM
SCHEMBL7285934 0.80 ALDH1A1 (0.49) POLBALDH1A1GAAMAPTRAB9A

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-5925647-A TREATMENT OF INSULIN NON-INSULIN DEPENDENT DIABETES SHAMAN PHARMACEUTICALS, INC. (US) 1999-07-20 US disclosed
US-5741926-A ANTIDIABETIC AGENT SHAMAN PHARMACEUTICALS, INC. (US) 1998-04-21 US disclosed
US-5681958-A TREATMENT OF DIABETES SHAMAN PHARMACEUTICALS, INC. (US) 1997-10-28 US disclosed
WO-1997030019-A1 ANILINE DERIVATIVES HAVING ANTIHYPERGLYCEMIC ACTIVITY SHAMAN PHARMACEUTICALS, INC. (US) 1997-08-21 WO disclosed
WO-1996010015-A1 CRYPTOLEPINE ANALOGS WITH HYPOGLYCEMIC ACTIVITY SHAMAN PHARMACEUTICALS, INC. (US) 1996-04-04 WO disclosed