SCHEMBL5254653

SCHEMBL5254653

Cc1cn(C(=O)NCCBr)nc1C(=O)Nc1ccc(F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 14/20 0.55
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5258097 0.84 ALOX15 (0.51) ALOX15LMNAPOLBNPC1RAB9A
SCHEMBL3989236 0.71 ALOX15 (0.94) ALOX15LMNANPC1RAB9A
SCHEMBL2907641 0.71 ALOX15 (1.00) ALOX15LMNANPC1RAB9A
SCHEMBL31453202 0.69 ALOX15 (0.57) ALOX15LMNATDP1MAPTSMN1; SMN2
SCHEMBL22939286 0.69 ALOX15 (0.57) ALOX15LMNAMAPT
SCHEMBL22257192 0.68 ALOX15 (0.59) ALOX15LMNANPC1RAB9A
SCHEMBL2909325 0.67 ALOX15 (1.00) ALOX15LMNANPC1
SCHEMBL22257199 0.67 ALOX15 (0.55) ALOX15LMNA
SCHEMBL22257202 0.67 ALOX15 (0.55) ALOX15LMNA
SCHEMBL22257174 0.67 ALOX15 (0.50) ALOX15LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794130-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-06-13 EP disclosed
WO-2006032852-A1 PYRAZOLE COMPOUNDS USEFUL UIN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-03-30 WO disclosed