SCHEMBL12166015

SCHEMBL12166015

CCCCOc1ccc(Br)cc1C(=O)Nc1cc(-c2ccccc2)ccc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
PTPN11 Q06124 5/20 0.44
LRRK2 Q5S007 6/20 0.43
TP53 P04637 1/20 0.43
LCLAT1 Q6UWP7 1/20 0.42
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PTGDR2 Q9Y5Y4 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
SCHEMBL12166052 0.89 KDM4E (0.47) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL12166031 0.89 KMT2A (0.46) POLBAKR1C2AKR1C1KDM4EMAPT
SCHEMBL12166018 0.89 MEN1 (0.46) POLBAKR1C2AKR1C1KDM4EMAPT
SCHEMBL12166134 0.89 KDM4E (0.46) AKR1C2AKR1C1KDM4EMAPTMEN1
SCHEMBL12121662 0.86 KDM4E (0.44) AKR1C2AKR1C1KDM4EMAPTMEN1
SCHEMBL12121644 0.85 LMNA (0.57) LMNAPOLBNPSR1AKR1C2AKR1C1
SCHEMBL12121825 0.83 ALDH1A1 (0.43) AKR1C2AKR1C1KDM4EMAPTMEN1
SCHEMBL12121815 0.82 KDM4E (0.40) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL12121811 0.80 LRRK2 (0.41) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL12121294 0.80 PTGES (0.43) KDM4EMAPTMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385036-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2011-11-09 EP disclosed