SCHEMBL16155940

SCHEMBL16155940

O=C(Cc1ccc(Cl)cc1)NC(C(=O)O)c1nn(NC(=O)Cc2ccc(Cl)cc2)c(=O)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ CNR2 P34972 5/20 0.44
▸ CACNA1G O43497 1/20 0.43
▸ CACNA1H O95180 1/20 0.43
▸ CACNA1I Q9P0X4 1/20 0.43
▸ PSMB8 P28062 1/20 0.43
▸ PSMB5 P28074 1/20 0.43
▸ AKR1B1 P15121 1/20 0.42
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 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
SCHEMBL13721336 0.87 KDM4E (0.49) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL1787852 0.86 HPGD (0.52) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL13721059 0.85 KDM4E (0.48) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL13721152 0.82 AKR1B1 (0.58) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL30824700 0.82 KDM4E (0.54) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL1785726 0.82 KDM4E (0.54) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL30796387 0.81 TSHR (0.51) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL1788819 0.81 TSHR (0.51) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL13720159 0.81 KDM4E (0.51) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL1790428 0.81 ADRA1A (0.51) KDM4EHPGDMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US claimed
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US disclosed
Send feedback