SCHEMBL27361127

SCHEMBL27361127

Cc1cc2cc([N+](=O)[O-])ccc2n1CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
CYP19A1 P11511 2/20 0.52
CNR2 P34972 1/20 0.48
AR P10275 2/20 0.48
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
SIGMAR1 Q99720 2/20 0.45
BRD4 O60885 1/20 0.45
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL27532542 0.91 PLA2G2A (0.50) PKMCYP19A1CNR2ARHPGD
SCHEMBL7962237 0.87 AR (0.60) CYP19A1ARL3MBTL1MAPTMEN1
SCHEMBL31735617 0.79 KMT2A (0.49) PKMCYP19A1HPGDMAPTMEN1
SCHEMBL2846720 0.79 PKM (0.62) PKMCYP19A1CNR2SIGMAR1
SCHEMBL2264810 0.79 MAPT (0.54) CYP19A1HPGDMAPTMEN1KMT2A
SCHEMBL19538865 0.79 KMT2A (0.59) PKMMAPTMEN1KMT2ABRD4
SCHEMBL2125241 0.79 KMT2A (0.52) PKMCYP19A1CNR2HPGDMAPT
SCHEMBL6018659 0.78 ECE1 (0.63) PKMCNR2MAPTMEN1KMT2A
SCHEMBL1252366 0.77 CCR2 (0.51) CYP19A1HPGDMAPTMEN1KMT2A
SCHEMBL27730441 0.77 MAPT (0.73) PKMCNR2L3MBTL1MAPTMEN1

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
CN-1068588-C 1H-indole-3-acetamide splA2 inhibitors LILLY CO ELI (US) 2001-07-18 CN disclosed