SCHEMBL6571496

SCHEMBL6571496

Nc1ccc(N(CCO)CCO)c(-c2ccc(O)cc2O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
TYR P14679 2/20 0.33
PDE10A Q9Y233 1/20 0.33
FTO Q9C0B1 1/20 0.33
PRKCI P41743 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 2/20 0.31
CASP1 P29466 2/20 0.31
CA3 P07451 1/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
CA6 P23280 1/20 0.31

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
SCHEMBL6570710 0.92 TSHR (0.36) PDE10APRKCIALDH1A1CA1CA2
SCHEMBL6572419 0.85 MEN1 (0.40) PDE10AALDH1A1TDP1KMT2ACASP1
SCHEMBL6571486 0.84 USP7 (0.40) ALDH1A1CA14CA12CA9KMT2A
SCHEMBL8107403 0.84 HDAC4 (0.39) TYRALDH1A1KMT2AHSD17B10MEN1
SCHEMBL6570996 0.83 CRHR1 (0.34) ALOX5TYRPDE10AFTOPRKCI
SCHEMBL6572602 0.83 MEN1 (0.33) ALDH1A1TDP1KMT2ACASP1CYP3A4
SCHEMBL6572545 0.80 ABL1 (0.36) PDE10AALDH1A1KMT2AMEN1PABPC1
SCHEMBL6572182 0.79 PIK3CG (0.41) ALDH1A1CA14CA1CA2CA12
SCHEMBL6570840 0.79 ALDH1A1 (0.36) PDE10AALDH1A1TDP1KMT2ACYP3A4
SCHEMBL6571550 0.77 CRHR1 (0.42) ALDH1A1KMT2A

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 3 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