SCHEMBL7090282

SCHEMBL7090282

Nc1ccc(N)c(-c2cccnc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.42
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
HTT P42858 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 2/20 0.42
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
CASP1 P29466 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP11B2 P19099 1/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 4/20 0.37
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL13745260 0.86 ALDH1A1 (0.41) MAP4K4MAPTALDH1A1CYP11B2CTSD
SCHEMBL7089197 0.82 MAP4K4 (0.42) MAP4K4MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL7086361 0.81 MAP4K4 (0.58) MAP4K4MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL7089870 0.79 ALDH1A1 (0.42) MAP4K4MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL7086560 0.79 MAP4K4 (0.42) MAP4K4MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL7085761 0.78 MAP4K4 (0.39) MAP4K4MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL7088757 0.77 GABRG2 (0.42) MAP4K4MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL29706669 0.77 TSHR (0.62) MAP4K4MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL18255779 0.76 CYP11B2 (0.47) MAP4K4MAPTALDH1A1TP53CYP11B2
SCHEMBL26785258 0.75 MAP4K4 (0.69) MAP4K4MAPTCYP11B2NPC1CTSD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1052252-B1 Diaminobenzene derivatives and dyeing preparations containing them WELLA AG (DE) 2003-08-06 EP claimed
US-6461388-B1 Diaminobenzene derivative compounds and dye compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 US claimed
EP-1052252-A1 Diaminobenzene derivatives and dyeing preparations containing them Wella Aktiengesellschaft (DE) 2000-11-15 EP claimed
EP-1052252-B1 Diaminobenzene derivatives and dyeing preparations containing them WELLA AG (DE) 2003-08-06 EP disclosed
US-6461388-B1 Diaminobenzene derivative compounds and dye compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
EP-1052252-A1 Diaminobenzene derivatives and dyeing preparations containing them Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed