SCHEMBL7085683

SCHEMBL7085683

Nc1ccc(N)c(-c2cccc(F)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.38
PIM3 Q86V86 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
MEN1 O00255 7/20 0.36
KMT2A Q03164 7/20 0.36
POLB P06746 3/20 0.36
GAA P10253 2/20 0.36
BLM P54132 2/20 0.36
UBE2N P61088 1/20 0.36
CYP3A4 P08684 4/20 0.33
CASP1 P29466 3/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 7/20 0.33
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
MAPT P10636 5/20 0.33
HSD17B10 Q99714 4/20 0.33
HPGD P15428 4/20 0.33
LMNA P02545 4/20 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
SCHEMBL7086524 0.81 ASIC3 (0.47) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL5685001 0.81 PLAU (0.41) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL7085324 0.79 NOTUM (0.43) PIM1PIM3PIM2POLBGAA
SCHEMBL29973142 0.79 CCR1 (0.52) MEN1KMT2APOLBGAABLM
SCHEMBL7085462 0.79 JAK2 (0.41) MEN1KMT2APOLBGAABLM
SCHEMBL462761 0.79 CCR1 (0.52) MEN1KMT2APOLBGAABLM
SCHEMBL7086276 0.79 MEN1 (0.39) MEN1KMT2APOLBGAABLM
Hydrochloric Acid SCHEMBL7086071 0.77 CCR1 (0.50) MEN1KMT2APOLBGAABLM
Hydrochloric Acid SCHEMBL7089446 0.77 CCR1 (0.50) MEN1KMT2APOLBGAABLM
SCHEMBL22386671 0.76 IRAK4 (0.34) MEN1KMT2APOLBGAABLM

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