SCHEMBL8181705

SCHEMBL8181705

[CH2]C1C(=O)Nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
GSK3B P49841 2/20 0.45
BRPF1 P55201 1/20 0.44
CREBBP Q92793 1/20 0.44
TDO2 P48775 1/20 0.42
MAPT P10636 8/20 0.42
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
PARP1 P09874 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL9159527 0.78 IDO1 (0.64) IDO1GSK3BBRPF1CREBBPTDO2
SCHEMBL9899738 0.77 IDO1 (0.53) IDO1GSK3BBRPF1CREBBPTDO2
SCHEMBL11462474 0.76 IDO1 (0.52) IDO1GSK3BBRPF1CREBBPTDO2
SCHEMBL1462143 0.74 IDO1 (0.55) IDO1GSK3BBRPF1CREBBPTDO2
SCHEMBL19410659 0.74 IDO1 (0.50) IDO1GSK3BBRPF1CREBBPTDO2
SCHEMBL5144419 0.74 IDO1 (0.50) IDO1GSK3BBRPF1CREBBPTDO2
SCHEMBL2543645 0.74 IDO1 (0.55) IDO1GSK3BBRPF1CREBBPTDO2
SCHEMBL260994 0.74 BRPF1 (0.53) IDO1GSK3BBRPF1CREBBPTDO2
SCHEMBL20600322 0.74 IDO1 (0.50) IDO1GSK3BBRPF1CREBBPTDO2
SCHEMBL2767246 0.74 IDO1 (0.50) IDO1GSK3BBRPF1CREBBPTDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460679-B1 Endothelin antagonistic peptide derivatives BANYU PHARMA CO LTD (JP) 1998-10-28 EP claimed
US-5691315-A CARDIOVASCULAR DISORDERS; VASODILATOR; BRONCHODILATOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US claimed
US-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 US claimed
US-5444152-A Vasolidator or bronchodilator BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US claimed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP claimed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP claimed
US-6147051-A ANTIISCHEMIC AGENT TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2000-11-14 US disclosed
US-5691315-A CARDIOVASCULAR DISORDERS; VASODILATOR; BRONCHODILATOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 US disclosed
US-5444152-A Vasolidator or bronchodilator BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP disclosed