SCHEMBL3906236

SCHEMBL3906236

O=Cc1c(O)c(Br)cc2cc(Br)c(O)cc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.45
PADI4 Q9UM07 1/20 0.37
ALOX15 P16050 1/20 0.33
PRMT1 Q99873 1/20 0.33
CYP3A4 P08684 2/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GPR35 Q9HC97 1/20 0.32
MAPT P10636 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
TTR P02766 2/20 0.31
MEN1 O00255 1/20 0.31
ALB P02768 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL10504158 0.76 PADI4 (0.53) ERN1PADI4ALOX15MAPTMEN1
SCHEMBL2368058 0.74 CA1 (0.41) ALOX15CYP3A4TSHRTDP1GPR35
SCHEMBL3908409 0.68 TDP1 (0.36) ERN1PADI4PRMT1TDP1MEN1
SCHEMBL680308 0.67 ERN1 (0.48) ERN1MAPT
SCHEMBL6782431 0.67 ERN1 (0.48) ERN1MAPT
SCHEMBL19305533 0.67 ERN1 (0.77) ERN1ALOX15
SCHEMBL6659658 0.66 ERN1 (0.47) ERN1PADI4CYP3A4TSHRTDP1
SCHEMBL28441918 0.66 ERN1 (0.44) ERN1PADI4CYP3A4MAPT
SCHEMBL12483710 0.65 ALOX15 (0.46) ALOX15CYP3A4TSHRTDP1MAPT
SCHEMBL12484114 0.65 ALOX15 (0.46) ALOX15CYP3A4TSHRTDP1MAPT

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-2018844-A2 Agent for dying fibres which contain keratin comprising derivatives of naphthaldehyde in combination with CH acidic compounds Henkel AG & Co. KGaA (DE) 2009-01-28 EP claimed