SCHEMBL12166018

SCHEMBL12166018

Bc1ccc(OCCCC)c(C(=O)Nc2cc(-c3ccccc3)ccc2C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
TP53 P04637 1/20 0.43
PTPN11 Q06124 5/20 0.42
HDAC8 Q9BY41 3/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
VCP P55072 1/20 0.40
PTPN1 P18031 2/20 0.39
POLB P06746 2/20 0.39
PTPN6 P29350 1/20 0.39
ACLY P53396 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCHR1 Q99705 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 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
SCHEMBL12166052 0.89 KDM4E (0.47) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL12166024 0.89 PTPN11 (0.49) TP53PTPN11HDAC8HDAC1HDAC6
SCHEMBL12166134 0.89 KDM4E (0.46) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL12166015 0.89 LMNA (0.48) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL12166031 0.89 KMT2A (0.46) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL12121662 0.88 KDM4E (0.44) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL12166104 0.84 CFD (0.42) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL12121825 0.83 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL12121811 0.82 LRRK2 (0.41) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL12121815 0.82 KDM4E (0.40) MEN1KMT2AALDH1A1KDM4EMAPT

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