SCHEMBL14965486

SCHEMBL14965486

Cc1ccc(S(=O)(=O)NC(=O)N2CCOc3nc([N+](=O)[O-])cn3CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
KCNA1 Q09470 5/20 0.42
KCNAB1 Q14722 5/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TBXA2R P21731 1/20 0.40
HPGD P15428 1/20 0.39
P2RY12 Q9H244 2/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
HRH1 P35367 1/20 0.37
CCR3 P51677 1/20 0.37
STS P08842 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL14965880 0.91 P2RY12 (0.38) LMNAPOLBKCNA1KCNAB1KDM4E
SCHEMBL14966229 0.90 KDM4E (0.41) LMNAKDM4EKMT2ASMN1; SMN2P2RY12
SCHEMBL14965726 0.85 NPC1 (0.45) LMNAPOLBKDM4EALDH1A1TSHR
SCHEMBL14966258 0.79 KMT2A (0.46) LMNAPOLBKDM4EALDH1A1HSD17B10
SCHEMBL14966280 0.75 SMN1; SMN2 (0.52) LMNAPOLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL14965955 0.75 MAPK1 (0.44) LMNAKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL14966116 0.75 MAPT (0.46) LMNAKDM4EALDH1A1TSHRKMT2A
SCHEMBL14965945 0.75 BLM (0.55) LMNAALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL14966075 0.74 KDM4E (0.46) LMNAKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL14965906 0.73 PANK3 (0.42) LMNASMN1; SMN2P2RY12GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013072903-A1 NITROIMIDAZOXADIAZOCINE COMPOUNDS ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) 2013-05-23 WO claimed
WO-2013072903-A1 NITROIMIDAZOXADIAZOCINE COMPOUNDS ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) 2013-05-23 WO disclosed
WO-2013072903-A1 NITROIMIDAZOXADIAZOCINE COMPOUNDS ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) 2013-05-23 WO disclosed