SCHEMBL2638672

SCHEMBL2638672

O=C(Cc1ccc(Cl)c(C(=O)c2cc(Cl)ccc2Cl)c1)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
EPHX2 P34913 1/20 0.53
NLRP3 Q96P20 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
RORC P51449 2/20 0.49
PPARG P37231 1/20 0.49
KCNJ5 P48544 1/20 0.48
KCNJ3 P48549 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
TMPRSS4 Q9NRS4 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CNR1 P21554 1/20 0.47

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
SCHEMBL2639827 0.86 ALDH1A1 (0.58) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL2638753 0.83 CA1 (0.70) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL9370024 0.80 KMT2A (0.77) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL10612716 0.75 TMPRSS4 (0.73) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL10559385 0.75 KCNJ5 (0.67) MEN1KMT2AALDH1A1HPGDEPHX2
SCHEMBL10054999 0.74 EPHX2 (0.92) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL2638744 0.74 P2RX4 (0.59) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2639806 0.74 CA1 (0.75) MEN1KMT2A
SCHEMBL10750201 0.74 KMT2A (0.77) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL2638935 0.73 HPGD (0.56) MEN1KMT2AALDH1A1HPGDKDM4E

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
JP-4810529-B2 2011-11-09 JP claimed
EP-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP claimed
EP-1742908-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 EP claimed
WO-2005102989-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 WO claimed
EP-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed