SCHEMBL6557221

SCHEMBL6557221

Nc1ccc(F)c(NCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.46
BACE1 P56817 1/20 0.46
GPR68 Q15743 2/20 0.46
EGFR P00533 1/20 0.46
HSD17B10 Q99714 2/20 0.44
HTR6 P50406 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
IDO1 P14902 1/20 0.40
GRIN2B Q13224 1/20 0.40
FYN P06241 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL13054791 0.86 SMN1; SMN2 (0.46) HDAC1HDAC8HDAC6SMN1; SMN2BACE1
SCHEMBL6069436 0.83 ALDH1A1 (0.47) HDAC1HDAC8HDAC6BACE1EGFR
SCHEMBL6069372 0.83 CYP1A2 (0.50) HDAC1HDAC8HDAC6EGFRLMNA
SCHEMBL23044735 0.82 BACE1 (0.49) HDAC1HDAC8HDAC6SMN1; SMN2BACE1
SCHEMBL11512276 0.82 HDAC1 (0.59) HDAC1HDAC8HDAC6SMN1; SMN2HSD17B10
SCHEMBL19078917 0.80 HDAC1 (0.54) HDAC1HDAC8HDAC6SMN1; SMN2BACE1
SCHEMBL21999822 0.79 HDAC1 (0.56) HDAC1HDAC8HDAC6GPR68HSD17B10
SCHEMBL11445680 0.79 HDAC8 (0.56) HDAC1HDAC8HDAC6SMN1; SMN2BACE1
SCHEMBL5444651 0.79 HDAC1 (0.56) HDAC1HDAC8HDAC6SMN1; SMN2HSD17B10
SCHEMBL12684764 0.79 HDAC1 (0.60) HDAC1HDAC8HDAC6SMN1; SMN2HSD17B10

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
EP-1390341-A1 N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2004-02-25 EP claimed
WO-2002096854-A1 N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-12-05 WO claimed
EP-1390341-A1 N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2004-02-25 EP disclosed
WO-2002096854-A1 N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-12-05 WO disclosed