SCHEMBL6571319

SCHEMBL6571319

Nc1ccc(N(CCO)CCO)c(-c2ccccc2C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
PDK2 Q15119 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PABPC1 P11940 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
BACE1 P56817 1/20 0.36
TOP2A P11388 1/20 0.36
TACR1 P25103 4/20 0.36
TACR3 P29371 4/20 0.36
CNR2 P34972 1/20 0.34
PTPN1 P18031 1/20 0.34
PTGS1 P23219 1/20 0.33
ACP1 P24666 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
AR P10275 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
SCHEMBL6571350 0.83 CYP1A2 (0.40) GLAPOLBGAATSHRPDK2
SCHEMBL6573270 0.82 MEN1 (0.39) POLBTSHRPDK2MEN1KMT2A
SCHEMBL6572419 0.80 MEN1 (0.40) POLBGAATSHRPDK2MEN1
SCHEMBL6574139 0.79 PLA2G7 (0.50) GAATSHRMEN1KMT2APABPC1
SCHEMBL6570701 0.79 PLA2G7 (0.43) POLBGAATSHRMEN1KMT2A
SCHEMBL6571387 0.78 KIF11 (0.46) GLAPOLBGAATSHRMEN1
Hydrochloric Acid SCHEMBL6572997 0.77 PTGDR2 (0.43) GLAPOLBTSHRMEN1KMT2A
SCHEMBL6572103 0.77 MEN1 (0.38) POLBTSHRPDK2MEN1KMT2A
SCHEMBL6570679 0.77 MEN1 (0.38) PDK2MEN1KMT2APABPC1
SCHEMBL6572612 0.77 BACE1 (0.40) GLAPOLBGAATSHRPDK2

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