SCHEMBL7582706

SCHEMBL7582706

CCC(=O)c1cc([N+](=O)[O-])cc(Br)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
ESPL1 Q14674 1/20 0.39
CYP3A4 P08684 1/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 3/20 0.38
TP53 P04637 1/20 0.38
RORC P51449 1/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 1/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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 0.81 NPC1 (0.50) ALDH1A1LMNANPSR1KDM4EPOLB
SCHEMBL7587383 0.81 ALDH1A1 (0.46) ALDH1A1ESPL1CYP3A4LMNANPSR1
SCHEMBL7589858 0.81 ALDH1A1 (0.48) ALDH1A1ESPL1CYP3A4LMNAHTT
SCHEMBL27480347 0.79 ALDH1A1 (0.41) ALDH1A1ESPL1CYP3A4LMNANPSR1
SCHEMBL27724891 0.78 TP53 (0.46) ALDH1A1CYP3A4HTTTP53POLB
SCHEMBL7586768 0.75 FBP1 (0.39) LMNANPSR1KDM4EPOLBKMT2A
SCHEMBL6568119 0.75 KDM4E (0.58) CYP3A4LMNANPSR1KDM4ETP53
SCHEMBL27581325 0.73 PTGER4 (0.38) ALDH1A1LMNANPSR1HTTPOLB
SCHEMBL8875661 0.72 AKR1B1 (0.53) ALDH1A1CYP3A4LMNAHTTTP53
SCHEMBL13338136 0.72 KMT2A (0.51) ALDH1A1LMNANPSR1KDM4EHTT

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
CN-1114596-C Biphenyl derivatives EISAI CO LTD (JP) 2003-07-16 CN disclosed
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
CN-1290700-A Phenyl piperazine derivatives EISAI LTD (JP) 2001-04-11 CN disclosed
US-5849912-A Biphenyl derivatives EISAI CO., LTD. (JP) 1998-12-15 US disclosed
CN-1117966-A Biphenyl derivatives EISAI CO LTD (JP) 1996-03-06 CN disclosed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP disclosed