SCHEMBL6572291

SCHEMBL6572291

Nc1cc(N)cc(-c2cc(N(CCO)CCO)ccc2N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
S100B P04271 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
MCL1 Q07820 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
MMP14 P50281 1/20 0.33

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
SCHEMBL6572285 0.91 KMT2A (0.33) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6571892 0.89 MAPT (0.37) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6570998 0.86 MAPT (0.38) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6572800 0.86 ABL1 (0.36) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6571445 0.85 KMT2A (0.43) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6572769 0.84 KMT2A (0.43) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6574636 0.84 KMT2A (0.42) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6572200 0.84 USP7 (0.40) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6572913 0.83 KMT2A (0.38) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6571049 0.83 KMT2A (0.35) KMT2AMAPTMEN1LMNASMN1; SMN2

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