SCHEMBL7586768

SCHEMBL7586768

CCOC(=O)C(C)(C(=O)OCC)C(=O)c1cc([N+](=O)[O-])cc(Br)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 7/20 0.39
NPC1 O15118 1/20 0.39
THRB P10828 1/20 0.39
AKR1B1 P15121 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GPR35 Q9HC97 1/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
POLB P06746 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
SCHEMBL7591886 0.82 NPC1 (0.50) NPC1AKR1B1KDM4ENPSR1SMN1; SMN2
SCHEMBL27480347 0.81 ALDH1A1 (0.41) NPSR1SMN1; SMN2GPR35MAPTLMNA
SCHEMBL7582706 0.75 ALDH1A1 (0.41) KDM4ENPSR1MAPTMAPK1TDP1
SCHEMBL7587383 0.72 ALDH1A1 (0.46) NPSR1SMN1; SMN2GPR35MAPTMAPK1
SCHEMBL7589858 0.72 ALDH1A1 (0.48) SMN1; SMN2MAPTMAPK1TDP1LMNA
SCHEMBL6587015 0.71 KDM4E (0.54) FBP1THRBKDM4ENPSR1SMN1; SMN2
SCHEMBL7587421 0.70 NPC1 (0.51) NPC1AKR1B1NPSR1SMN1; SMN2MAPT
SCHEMBL1684398 0.70 ALDH1A1 (0.44) FBP1KDM4ESMN1; SMN2MAPTMAPK1
SCHEMBL20298736 0.69 NPC1 (0.50) NPC1AKR1B1KDM4ENPSR1SMN1; SMN2
SCHEMBL28057357 0.69 NPC1 (0.50) NPC1SMN1; SMN2MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP disclosed
US-6281214-B1 USEFUL FOR TREATING AND AMELIORATING MENTAL DISORDERS EISAI CO., LTD (JP) 2001-08-28 US disclosed
US-5849912-A Biphenyl derivatives EISAI CO., LTD. (JP) 1998-12-15 US disclosed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP disclosed