SCHEMBL4728233

SCHEMBL4728233

COC(=O)c1ccc(-c2cc([N+](=O)[O-])cnc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 6/20 0.47
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALKBH5 Q6P6C2 1/20 0.45
SLC2A1 P11166 1/20 0.44
ERN1 O75460 1/20 0.44
RECQL P46063 1/20 0.43
HTT P42858 2/20 0.42
SGK1 O00141 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
EGFR P00533 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4730825 0.85 TDP1 (0.51) POLBMEN1KMT2AMAPTRAB9A
SCHEMBL4726234 0.85 MAPT (0.46) POLBMEN1KMT2AMAPTKDM4E
SCHEMBL4727538 0.81 KAT2B (0.49) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL14293380 0.79 ALDH1A1 (0.43) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4728311 0.79 ABL1 (0.50) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL14908747 0.78 ALDH1A1 (0.49) POLBMEN1KMT2AMAPTNPC1
SCHEMBL2152518 0.78 POLB (0.47) POLBMEN1KMT2AMAPTKDM4E
SCHEMBL5593284 0.76 OPRK1 (0.51) POLBMEN1KMT2AMAPTKDM4E
SCHEMBL3021443 0.76 POLB (0.73) POLBMEN1KMT2AMAPTERN1
SCHEMBL2130747 0.75 POLB (0.47) POLBMEN1KMT2AMAPTKDM4E

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
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed