SCHEMBL6572544

SCHEMBL6572544

COCCN(CCOC)c1ccc(N)c(-c2cc(Br)ccc2OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PPARG P37231 1/20 0.35
GFER P55789 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CRHR1 P34998 1/20 0.34
AMY1A P0DUB6 1/20 0.34
NPC1 O15118 2/20 0.33
TSHR P16473 2/20 0.33
RAB9A P51151 1/20 0.33
S100B P04271 1/20 0.33
GRK6 P43250 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
SCHEMBL6571857 0.88 GAA (0.40) MGAMGAASIMGAM2POLB
SCHEMBL6570806 0.86 ALDH1A1 (0.42) MAPTALDH1A1CRHR1MEN1KMT2A
SCHEMBL6574104 0.85 LMNA (0.45) GAAPOLBLMNAMAPTALDH1A1
SCHEMBL6571532 0.83 HTR7 (0.44) POLBLMNAMAPTALDH1A1PPARG
SCHEMBL6571343 0.82 FDPS (0.43) POLBLMNAMAPTALDH1A1RXFP1
SCHEMBL6571984 0.82 S100B (0.36) MAPTALDH1A1CRHR1NPC1TSHR
SCHEMBL6572443 0.81 AOC3 (0.36) LMNAMAPTALDH1A1HTT
SCHEMBL6570969 0.79 ADK (0.36) POLBLMNAMAPTALDH1A1RXFP1
SCHEMBL6573326 0.78 ALDH1A1 (0.35) POLBMAPTALDH1A1PPARGGFER
SCHEMBL6571582 0.78 GAA (0.40) MGAMGAASIMGAM2POLB

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 4 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
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