SCHEMBL6690571

SCHEMBL6690571

OC(O)CN1CNc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.35
EPHX2 P34913 1/20 0.34
HSD17B3 P37058 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ALOX12 P18054 1/20 0.31
PER2 O15055 1/20 0.31
BRD4 O60885 1/20 0.30
IDO1 P14902 1/20 0.30
SLC6A2 P23975 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6175819 0.86 PTGS1 (0.42) BRPF1EPHX2HSD17B3HDAC2HDAC8
SCHEMBL6693798 0.81 EPHX2 (0.38) BRPF1EPHX2HSD17B3HDAC2HDAC8
SCHEMBL14309648 0.80 SLC6A2 (0.52) SLC6A2
SCHEMBL6450576 0.79 BRPF1 (0.44) BRPF1EPHX2HSD17B3GAAMEN1
SCHEMBL7544166 0.76 GAA (0.42) BRPF1EPHX2GAAMEN1KMT2A
SCHEMBL1645852 0.76 BRPF1 (0.38) BRPF1EPHX2HSD17B3GAAMEN1
SCHEMBL9868798 0.76 GRIA2 (0.44) BRPF1EPHX2HSD17B3GAAMEN1
SCHEMBL8793695 0.75 KMT2A (0.42) BRPF1EPHX2HSD17B3GAAMEN1
SCHEMBL31285850 0.75 KMT2A (0.42) BRPF1EPHX2HSD17B3GAAMEN1
SCHEMBL8039565 0.75 BRPF1 (0.39) BRPF1EPHX2HSD17B3HDAC2HDAC8

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 3 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
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