SCHEMBL6571975

SCHEMBL6571975

COCCN(CCOC)c1ccc(N)cc1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
GCGR P47871 1/20 0.34
MAPK14 Q16539 1/20 0.34
PGR P06401 2/20 0.34
SQOR Q9Y6N5 1/20 0.34
MAP4K4 O95819 2/20 0.33
ADORA2A P29274 3/20 0.32
CRHR1 P34998 2/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 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
SCHEMBL6572090 0.91 CRHR1 (0.34) CRHR1ALDH1A1
SCHEMBL6571013 0.87 CRHR1 (0.38) CRHR1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6572015 0.86 TDP1 (0.41) CRHR1APPALDH1A1RAB9ASMN1; SMN2
SCHEMBL6574108 0.86 CRHR1 (0.33) CRHR1ALDH1A1
SCHEMBL6572104 0.86 CRHR1 (0.32) CRHR1APP
SCHEMBL6571986 0.86 MEN1 (0.41) PGRCRHR1RAB9ASMN1; SMN2
SCHEMBL6572455 0.86 USP7 (0.35) CRHR1FYNAPPALDH1A1SMN1; SMN2
SCHEMBL6572624 0.85 MAP4K4 (0.44) MAP4K4CRHR1FYN
SCHEMBL6570747 0.85 KIF11 (0.41) RAB9A
SCHEMBL6572183 0.85 FYN (0.36) GRM2CRHR1FYNALDH1A1

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