SCHEMBL6570795

SCHEMBL6570795

Nc1ccc(NCCO)c(-c2ccccc2N(CCO)CCO)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PABPC1 P11940 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.36
RECQL P46063 3/20 0.36
HTT P42858 3/20 0.36
BLM P54132 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
EGFR P00533 1/20 0.36
RAD52 P43351 1/20 0.36
NQO1 P15559 2/20 0.36
TOP2B Q02880 1/20 0.35

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
SCHEMBL6570753 0.85 TOP2B (0.36) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL6570715 0.84 MEN1 (0.38) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL6571427 0.80 MEN1 (0.44) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL6574155 0.80 ALDH1A1 (0.41) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL6572743 0.79 TOP2B (0.39) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL7809982 0.79 ALDH1A1 (0.38) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL6570903 0.78 TSHR (0.50) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL6572950 0.78 PLA2G7 (0.50) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL6571902 0.78 TOP2B (0.38) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL6572757 0.78 PLA2G7 (0.43) ALDH1A1TSHRTDP1SMN1; SMN2RECQL

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 5 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
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed