SCHEMBL6571902

SCHEMBL6571902

Nc1ccc(NCCO)c(-c2ccccc2F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
PDK2 Q15119 1/20 0.35
RECQL P46063 1/20 0.35
RAD52 P43351 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CDC25A P30304 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6574155 0.85 ALDH1A1 (0.41) TOP2BALDH1A1L3MBTL1POLBNPC1
SCHEMBL6572743 0.84 TOP2B (0.39) TOP2BALDH1A1MAPTL3MBTL1POLB
SCHEMBL6572757 0.82 PLA2G7 (0.43) TOP2BALDH1A1MAPTL3MBTL1NPC1
SCHEMBL6572950 0.82 PLA2G7 (0.50) TOP2BALDH1A1MAPTNPC1RAB9A
SCHEMBL6571512 0.82 PTPN1 (0.46) TOP2BALDH1A1L3MBTL1POLBPDK2
SCHEMBL6572949 0.81 FCGR3B (0.38) TOP2BALDH1A1MAPTL3MBTL1POLB
SCHEMBL6570922 0.81 PTGDR2 (0.44) TOP2BALDH1A1POLBRAB9ARECQL
SCHEMBL6574137 0.81 ALOX5AP (0.36) ALDH1A1MAPTL3MBTL1POLBNPC1
Hydrochloric Acid SCHEMBL6573152 0.80 PTGDR2 (0.43) TOP2BALDH1A1RECQLSMN1; SMN2MAPK1
SCHEMBL6571120 0.80 TOP2B (0.37) TOP2BALDH1A1MAPTL3MBTL1POLB

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