SCHEMBL6571357

SCHEMBL6571357

Nc1ccc(NCC(O)CO)c(-c2ccccc2C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
IDH2 P48735 4/20 0.37
PDK2 Q15119 1/20 0.35
PTPN1 P18031 1/20 0.34
TOP2A P11388 1/20 0.34
PTGS1 P23219 1/20 0.33
PDE10A Q9Y233 1/20 0.33
SCN5A Q14524 1/20 0.32
SCN9A Q15858 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
SCHEMBL6574137 0.84 ALOX5AP (0.36) POLBTSHRIDH2
SCHEMBL6570912 0.83 ALDH1A1 (0.36) POLBTSHR
SCHEMBL9362929 0.83 PDE3B (0.50) PDE3BPDE3AGLAPOLBGAA
SCHEMBL6571512 0.82 PTPN1 (0.46) GLAPOLBGAATSHRPDK2
SCHEMBL6572908 0.82 NPC1 (0.35) POLBGAATSHR
SCHEMBL6571001 0.81 LMNA (0.41) GAA
SCHEMBL6574529 0.81 PLA2G7 (0.46) POLBGAATSHR
SCHEMBL6571461 0.80 CHEK1 (0.41)
SCHEMBL6571618 0.80 KIF11 (0.41) PDE3BPDE3AIDH2
Hydrochloric Acid SCHEMBL6572537 0.79 CHEK1 (0.40)

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