SCHEMBL5408055

SCHEMBL5408055

Cc1ccc(F)cc1NCn1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.47
QPCT Q16769 4/20 0.46
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 4/20 0.45
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL7997986 0.79 CYP11B1 (0.55) CYP19A1QPCTCYP11B1CYP11B2MEN1
SCHEMBL5440895 0.78 CYP11B1 (0.39) CYP19A1QPCTCYP11B1CYP11B2MEN1
SCHEMBL20659412 0.71 CYP11B1 (0.53) CYP19A1QPCTCYP11B1CYP11B2MEN1
SCHEMBL1643707 0.69 CYP3A4 (0.60) MEN1ALDH1A1MAPTKMT2APOLB
SCHEMBL16502278 0.68 ALDH1A1 (0.54) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL10887453 0.67 ALDH1A1 (0.49) CYP19A1QPCTCYP11B1CYP11B2ALDH1A1
SCHEMBL24392789 0.66 KMT2A (0.40) MEN1ALDH1A1MAPTKMT2APOLB
SCHEMBL4814749 0.65 ALDH1A1 (0.44) MEN1ALDH1A1MAPTKMT2APOLB
SCHEMBL18622661 0.65 FERMT2 (0.50) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL9565898 0.65 CYP11B1 (0.55) CYP19A1QPCTCYP11B1CYP11B2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007014054-A2 BENZENESULFONAMIDE INHIBITOR OF CCR2 CHEMOKINE RECEPTOR GLAXO GROUP LIMTED (GB) 2007-02-01 WO disclosed