SCHEMBL8322814

SCHEMBL8322814

COC(=O)C1C(=O)N(C)C(=O)c2ccc(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
APP P05067 1/20 0.40
ALDH1A1 P00352 6/20 0.40
TSHR P16473 4/20 0.40
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.37
NR4A2 P43354 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BRD4 O60885 1/20 0.35
CASP3 P42574 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL8320575 0.83 ALDH1A1 (0.39) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL8804810 0.80 HSD17B10 (0.41) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL9384033 0.75 ALDH1A1 (0.41) ALDH1A1TSHRGAANR4A2SMN1; SMN2
SCHEMBL9685018 0.74 AKR1B1 (0.55) TDP2MEN1KMT2AAPPALDH1A1
SCHEMBL8320456 0.73 AKR1B1 (0.66)
SCHEMBL9385583 0.72 AKR1B1 (0.54)
SCHEMBL8323716 0.69 AKR1B1 (0.54) MEN1KMT2ATSHRCYP2C9
SCHEMBL8185460 0.69 CCR1 (0.45) TDP2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL24456971 0.69 TDP2 (0.46) TDP2TSHRGAAPOLB
SCHEMBL30496358 0.69 TDP2 (0.46) TDP2TSHRGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555327-B1 ALKYLIDENE ANALOGS OF 1'-AMINOSPIRO-[ISOQUINOLINE- 4(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONES USEFUL AS ALDOSE REDUCTASE INHIBITORS IN VIVO AMERICAN HOME PROD (US) 1999-01-13 EP disclosed
EP-0553263-B1 1'-AMINOSPIRO-[ISOQUINOLINE-4(1H),3'-PYRROLIDINE]- 1,2',3,5'(2H)-TETRONES AND ANALOGS THEREOF USEFUL AS ALDOSE REDUCTASE INHIBITORS IN VIVO AMERICAN HOME PROD (US) 1998-08-05 EP disclosed
EP-0365324-B1 Spiro-isoquinoline-pyrrolidine tetrones and analogs thereof useful as aldose reductase inhibitors AMERICAN HOME PROD (US) 1994-05-04 EP disclosed
EP-0555327-A1 ALKYLIDENE ANALOGS OF 1'-AMINOSPIRO-[ISOQUINOLINE- 4(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONES USEFUL AS ALDOSE REDUCTASE INHIBITORS IN VIVO AMERICAN HOME PRODUCTS CORPORATION (US) 1993-08-18 EP disclosed
EP-0553263-A1 1'-AMINOSPIRO-[ISOQUINOLINE-4(1H),3'-PYRROLIDINE]- 1,2',3,5'(2H)-TETRONES AND ANALOGS THEREOF USEFUL AS ALDOSE REDUCTASE INHIBITORS IN VIVO AMERICAN HOME PRODUCTS CORPORATION (US) 1993-08-04 EP disclosed
US-5130425-A Antidiabetic agents spiro azetidine-2,4'(1'H)-isoquinoline! 1',3',4(2'H)-triones AMERICAN HOME PRODUCTS CORPORATION (US) 1992-07-14 US disclosed
WO-1992006974-A1 ALKYLIDENE ANALOGS OF 1'-AMINOSPIRO[ISOQUINOLINE-4(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONES USEFUL AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-30 WO disclosed
WO-1992006975-A1 1'-AMINOSPIRO[ISOQUINOLINE-4(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONES AND ANALOGS THEREOF USEFUL AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-30 WO disclosed
US-5102886-A 1'-aminospiro[isoquinoline-4(1H),3'-pyrrolidine]-1,2',3,5'(2H)-tetrones and analogs thereof useful as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-07 US disclosed
US-5081241-A Diabetes AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-14 US disclosed
US-5068332-A Antidiabetic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1991-11-26 US disclosed
US-4927831-A PREVENTION OF DIABETES MELLITUS ASSOCIATED COMPLICATIONS AMERICAN HOME PRODUCTS (US) 1990-05-22 US disclosed
EP-0365324-A1 Spiro-isoquinoline-pyrrolidine tetrones and analogs thereof useful as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1990-04-25 EP disclosed