SCHEMBL6571550

SCHEMBL6571550

Nc1ccc(N(CCO)CCO)c(-c2ccc(Cl)cc2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.42
ALPL P05186 1/20 0.39
SLC9A5 Q14940 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
DPP4 P27487 2/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 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
SCHEMBL6574139 0.84 PLA2G7 (0.50) DPP4TP53KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6571903 0.84 KMT2A (0.38) CRHR1LMNATP53KMT2AATM
SCHEMBL6572937 0.82 CRHR1 (0.54) CRHR1DPP4
SCHEMBL6572602 0.80 MEN1 (0.33) LMNATP53KMT2ASMN1; SMN2NPSR1
SCHEMBL6570710 0.80 TSHR (0.36) TP53KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6570737 0.80 MEN1 (0.47) LMNAKMT2ANPSR1ALDH1A1KDM4E
SCHEMBL6572290 0.79 TP53 (0.35) LMNATP53KMT2AATMSMN1; SMN2
SCHEMBL6572172 0.79 STK4 (0.45) KMT2AALDH1A1RAB9A
SCHEMBL855573 0.78 CA1 (0.44) ITGB2ICAM1ITGALLMNATP53
SCHEMBL6573366 0.77 CYP3A4 (0.42) LMNATP53KMT2AATMSMN1; 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