SCHEMBL6573643

SCHEMBL6573643

COCCNc1ccc(N)c(-c2cc(O)ccc2N)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.42
EGFR P00533 5/20 0.38
ALDH1A1 P00352 3/20 0.37
KCNH3 Q9ULD8 3/20 0.37
MAPT P10636 1/20 0.37
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NCF1 P14598 1/20 0.35
HKDC1 Q2TB90 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ITK Q08881 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSP90AB1 P08238 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
SCHEMBL6570977 0.93 PTGER4 (0.39) PTGER4EGFRALDH1A1KCNH3MAPT
SCHEMBL6572982 0.89 PTGER4 (0.40) PTGER4EGFRALDH1A1KCNH3MAPT
SCHEMBL6570957 0.86 PTGER4 (0.40) PTGER4EGFRALDH1A1KCNH3MAPT
SCHEMBL6573234 0.85 PIK3CA (0.42) PTGER4EGFRALOX15NCF1
SCHEMBL6574643 0.85 PTGER4 (0.40) PTGER4ALDH1A1KCNH3MAPTCYP3A4
SCHEMBL6571383 0.85 PTGER4 (0.39) PTGER4ALDH1A1KCNH3MAPTCYP3A4
SCHEMBL6572283 0.85 PTGER4 (0.39) PTGER4EGFRALDH1A1KCNH3MAPT
SCHEMBL6573372 0.84 MALT1 (0.42) PTGER4ALDH1A1KCNH3MAPTCYP3A4
SCHEMBL6571994 0.83 PTGER4 (0.39) PTGER4EGFRALDH1A1KCNH3MAPT
SCHEMBL6572191 0.82 PTGER4 (0.38) PTGER4EGFRALDH1A1KCNH3MAPT

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 7 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-1448182-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ADMINISTERING EP 2 RECEPTOR SELECTIVE AGONISTS Pfizer Products Inc. (US) 2004-08-25 EP disclosed
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
WO-2003045371-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ADMINISTERING EP2 RECEPTOR SELECTIVE AGONISTS PFIZER PRODUCTS INC. (US) 2003-06-05 WO 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