SCHEMBL6571124

SCHEMBL6571124

COCCN(CCOC)c1ccc(N)c(-c2ccccc2O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
RORC P51449 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
S100B P04271 1/20 0.33
SMARCA2 P51531 2/20 0.32
SMARCA4 P51532 2/20 0.32
NR1I2 O75469 2/20 0.32
BRD4 O60885 1/20 0.32
PBRM1 Q86U86 1/20 0.32
IKBKB O14920 1/20 0.32
CRHR1 P34998 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6572572 0.86 PDK2 (0.34) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL6572226 0.86 TSHR (0.37) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL6572502 0.85 S100B (0.40) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL6573203 0.85 ALDH1A1 (0.34) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL6571532 0.84 HTR7 (0.44) ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL6570863 0.84 CRHR1 (0.39) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL6570665 0.83 KMT2A (0.40) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL6573765 0.82 MAPK1 (0.49) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL6572343 0.82 CYP1A2 (0.40) F2PRSS1PRSS2PRSS3RORC
SCHEMBL6572540 0.82 S100B (0.34) F2PRSS1PRSS2PRSS3S100B

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