SCHEMBL6574702

SCHEMBL6574702

Nc1ccc(NCCO)cc1-c1cc(O)cc(O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
ALDH1A1 P00352 2/20 0.34
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
KDR P35968 1/20 0.32
JAK3 P52333 1/20 0.32
AURKB Q96GD4 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MMP14 P50281 1/20 0.32
BLM P54132 1/20 0.32
CASP6 P55212 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL6573049 0.93 JAK2 (0.33) ABL1ABCB1BCRALDH1A1JAK2
SCHEMBL7693189 0.89 FCGR3B (0.36) ABL1ABCB1BCRALDH1A1CYP3A4
SCHEMBL6572942 0.89 APP (0.41) ABL1ABCB1BCRALDH1A1MEN1
SCHEMBL6570876 0.87 SRC (0.39) KDRAURKBCYP3A4PIK3CDPIK3CA
SCHEMBL6571323 0.86 ALDH1A1 (0.35) ABL1ALDH1A1JAK2JAK1TYK2
SCHEMBL6572585 0.84 ALDH1A1 (0.42) ALDH1A1TYK2MEN1POLBMMP14
SCHEMBL6572728 0.84 FCGR3B (0.38) ABL1ALDH1A1MEN1POLBMMP14
SCHEMBL6572467 0.84 ALDH1A1 (0.37) ABL1ALDH1A1MEN1POLBMMP14
SCHEMBL6570957 0.82 PTGER4 (0.40) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL6572249 0.81 MAPT (0.44) ALDH1A1KDRMEN1POLBMMP14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed