SCHEMBL7667133

SCHEMBL7667133

CC(=O)c1cc(Cc2ccccc2)cc(Cn2nccn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 1/20 0.41
FYN P06241 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TBXAS1 P24557 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTPN1 P18031 3/20 0.38
PTPN2 P17706 1/20 0.38
PTPN6 P29350 1/20 0.38
HTT P42858 1/20 0.38
MTNR1A P48039 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G2A P14555 1/20 0.37
KDM5A P29375 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL7671810 0.82 CYP19A1 (0.46) CYP19A1PTPN1
SCHEMBL7079785 0.79 CYP19A1 (0.56) CYP19A1LMNAKMT2A
SCHEMBL7674614 0.78 CYP19A1 (0.59) CYP19A1LMNAKMT2ASMN1; SMN2NPC1
SCHEMBL12150535 0.77 LMNA (0.62) LMNAKMT2APTPN1PTPN2PTPN6
SCHEMBL6480011 0.77 LMNA (0.62) LMNAKMT2ASMN1; SMN2PTPN1PTPN2
SCHEMBL7081335 0.77 ALDH1A1 (0.46) CYP19A1LMNAKMT2ASMN1; SMN2TBXAS1
SCHEMBL7081122 0.77 CYP19A1 (0.39) CYP19A1LMNAKMT2ASMN1; SMN2NPC1
SCHEMBL7081463 0.76 LMNA (0.49) LMNAKMT2AMAPT
SCHEMBL7085127 0.73 LMNA (0.61) LMNAKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL15043256 0.73 LMNA (0.61) LMNAKMT2AFYNSMN1; SMN2TBXAS1

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
US-6380249-B1 HIV integrase inhibitors MERCK & CO., INC. 2002-04-30 US disclosed