SCHEMBL4633158

SCHEMBL4633158

O=C(NCc1ccc(F)cc1)c1cc[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 2/20 0.52
THRB P10828 1/20 0.52
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK14 Q16539 1/20 0.47

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
SCHEMBL4288847 0.84 MMP13 (0.58) SMN1; SMN2ALDH1A1KMT2ACYP1A2CYP2C19
SCHEMBL4632986 0.82 ALDH1A1 (0.60) L3MBTL1SMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL12472899 0.76 ALDH1A1 (0.59) LMNAL3MBTL1SMN1; SMN2POLBTHRB
SCHEMBL168618 0.76 MEN1 (0.63) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL8358839 0.75 MMP13 (0.71) LMNAL3MBTL1SMN1; SMN2POLBTHRB
SCHEMBL5223245 0.75 L3MBTL1 (0.52) LMNAL3MBTL1SMN1; SMN2POLBTHRB
SCHEMBL3144624 0.74 CNR1 (0.41) LMNAL3MBTL1SMN1; SMN2POLBTHRB
SCHEMBL20029114 0.74 ACR (0.43) L3MBTL1SMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL27363106 0.74 HDAC6 (0.35) LMNASMN1; SMN2POLBKMT2A
SCHEMBL6077802 0.73 L3MBTL1 (0.77) LMNAL3MBTL1SMN1; SMN2POLBALDH1A1

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-1928859-A1 PYRAZOLE DERIVATES AS CANNABINOID RECEPTOR MODULATORS Carex SA (FR) 2008-06-11 EP disclosed
WO-2006133926-A1 PYRAZOLE DERIVATES AS CANNABINOID RECEPTOR MODULATORS CAREX SA (FR) 2006-12-21 WO disclosed