SCHEMBL6693798

SCHEMBL6693798

O=C(O)C(CN1CNc2ccccc21)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
HSD17B3 P37058 1/20 0.37
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ATM Q13315 1/20 0.36
BRPF1 P55201 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 2/20 0.34
HTT P42858 2/20 0.34
CASP3 P42574 1/20 0.33
CASP2 P42575 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 4/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL31285850 0.81 KMT2A (0.42) EPHX2HSD17B3MEN1KMT2ABRPF1
SCHEMBL8793695 0.81 KMT2A (0.42) EPHX2HSD17B3MEN1KMT2ABRPF1
SCHEMBL6690571 0.81 BRPF1 (0.35) EPHX2HSD17B3HDAC2HDAC8HDAC6
SCHEMBL6175819 0.79 PTGS1 (0.42) EPHX2HSD17B3HDAC2HDAC8HDAC6
SCHEMBL6450576 0.75 BRPF1 (0.44) EPHX2HSD17B3MEN1KMT2ABRPF1
SCHEMBL14309648 0.73 SLC6A2 (0.52) MAPK1ALDH1A1
SCHEMBL9304274 0.73 EPHX2 (0.57) EPHX2HDAC2HDAC8HDAC6KMT2A
SCHEMBL9366970 0.72 ATM (0.32) EPHX2HSD17B3HDAC2HDAC8HDAC6
SCHEMBL9366994 0.72 ATM (0.32) EPHX2HSD17B3HDAC2HDAC8HDAC6
SCHEMBL9868798 0.72 GRIA2 (0.44) EPHX2HSD17B3MEN1KMT2ABRPF1

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
WO-2004005407-A2 TETRA-AZAPENTAMETHINE AND USE THEREOF FOR DYEING KERATINOUS FIBERS L'OREAL (FR) 2004-01-15 WO claimed
EP-1378544-A2 Tetraaza-pentamethine derivatives and their application for dyeing keratinous fibres L'OREAL (FR) 2004-01-07 EP claimed
WO-2004005407-A2 TETRA-AZAPENTAMETHINE AND USE THEREOF FOR DYEING KERATINOUS FIBERS L'OREAL (FR) 2004-01-15 WO disclosed
EP-1378544-A2 Tetraaza-pentamethine derivatives and their application for dyeing keratinous fibres L'OREAL (FR) 2004-01-07 EP disclosed