SCHEMBL6572331

SCHEMBL6572331

Nc1ccc(NCCO)c(-c2c(O)cccc2O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 3/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 2/20 0.39
BLM P54132 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TOP2A P11388 2/20 0.39
NSD2 O96028 2/20 0.39
PKM P14618 2/20 0.39
NPC1 O15118 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
CACNA1F O60840 1/20 0.39
SLC22A3 O75751 1/20 0.39
EGFR P00533 1/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL6572615 0.88 NSD2 (0.42) RECQLMEN1USP2LMNATP53
SCHEMBL6571976 0.86 TOP2B (0.37) RECQLMEN1KMT2ANSD2PKM
SCHEMBL6572743 0.85 TOP2B (0.39) RECQLMEN1LMNATP53MAPK1
SCHEMBL6572408 0.83 PDE10A (0.40) RECQLMEN1USP2LMNATP53
SCHEMBL6572599 0.83 KMT2A (0.36) RECQLMEN1USP2LMNATP53
SCHEMBL6570745 0.82 BRD4 (0.39) RECQLMEN1LMNAMAPK1BLM
SCHEMBL6574148 0.81 KDM4E (0.41) RECQLSMN1; SMN2FYNCYP3A4KDM4E
SCHEMBL6573275 0.80 AR (0.33) LMNAPDE10APLAUCTDSP1
SCHEMBL6571037 0.80 TSHR (0.40) MEN1USP2MAPK1KMT2ASMN1; SMN2
SCHEMBL6570922 0.80 PTGDR2 (0.44) RECQLLMNAMAPK1TDP1ALOX15

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