SCHEMBL472912

SCHEMBL472912

C=CCc1cc(O)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
PKM P14618 4/20 0.39
TDP1 Q9NUW8 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
MAP4K4 O95819 1/20 0.38
RET P07949 1/20 0.38
IGF1R P08069 1/20 0.38
MET P08581 1/20 0.38
PIM1 P11309 1/20 0.38
LTK P29376 1/20 0.38
KDR P35968 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
CDK8 P49336 1/20 0.38
CLK2 P49760 1/20 0.38
CDK9 P50750 1/20 0.38

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
SCHEMBL15648557 0.81 KDM4E (0.38) MEN1KMT2ATDP1AURKADAPK3
SCHEMBL3964728 0.80 KDM4E (0.43) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL16836561 0.79 BACE1 (0.51) KMT2ATDP1MAPTALDH1A1HTT
SCHEMBL5835461 0.79 ALOX15 (0.51) ALDH1A1LMNAKDM4EALOX15SMN1; SMN2
SCHEMBL3964725 0.77 KDM4E (0.40) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL2532916 0.77 TNKS2 (0.46) MEN1KMT2ATDP1MAPTESR1
SCHEMBL11341944 0.77 ELANE (0.42) MEN1KMT2ATDP1MAPTALDH1A1
SCHEMBL7262455 0.75 KDM4E (0.43) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL176044 0.75 MYC (0.41) MEN1KMT2AGABRA1GABRB2MAPT
Hydrogen Peroxide SCHEMBL10784213 0.74 GABRA1 (0.58) MEN1KMT2AGABRA1GABRB2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598651-A1 METHODS AND USES RELATING TO THE IDENTIFICATION OF COMPOUND ASSOCIATED WITH BACTERIAL INFECTION Sanofi-Aventis Deutschland GmbH (DE) 2013-06-05 EP disclosed
US-20130123360-A1 METHODS AND USES RELATING TO THE IDENTIFICATION OF COMPOUND ASSOCIATED WITH BACTERIAL INFECTION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-05-16 US disclosed
WO-2012013621-A1 METHODS AND USES RELATING TO THE IDENTIFICATION OF COMPOUND ASSOCIATED WITH BACTERIAL INFECTION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-02-02 WO disclosed
EP-2412819-A1 Methods and uses relating to the identification of compound associated with bacterial infection Sanofi-Aventis Deutschland GmbH (DE) 2012-02-01 EP disclosed