SCHEMBL467795

SCHEMBL467795

NC1CCc2ccc([N+](=O)[O-])cc2CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.55
PNMT P11086 7/20 0.53
ADRA2A P08913 5/20 0.53
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
TLR9 Q9NR96 1/20 0.49
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
TDP2 O95551 1/20 0.43

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
SCHEMBL1919026 1.00 GRIN2B (0.55) GRIN2BPNMTADRA2AMEN1LMNA
SCHEMBL3442261 0.90 DRD2 (0.54) GRIN2BPNMTADRA2AMEN1LMNA
Hydrochloric Acid SCHEMBL8187018 0.89 DRD2 (0.53) GRIN2BPNMTADRA2AMEN1LMNA
SCHEMBL9483063 0.83 PNMT (0.65) GRIN2BPNMTADRA2AMEN1LMNA
SCHEMBL30709850 0.83 PNMT (0.65) GRIN2BPNMTADRA2AMEN1LMNA
SCHEMBL2832699 0.82 GRIN2B (0.54) GRIN2BPNMTADRA2AMEN1LMNA
SCHEMBL24773358 0.80 GRIN2B (0.52) GRIN2BPNMTADRA2AMEN1LMNA
SCHEMBL1715396 0.80 PNMT (0.61) GRIN2BPNMTADRA2AMEN1LMNA
SCHEMBL2083495 0.80 PNMT (0.61) GRIN2BPNMTADRA2AMEN1LMNA
SCHEMBL12670596 0.79 GRIN2B (0.61) GRIN2BPNMTADRA2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387395-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER Rigel Pharmaceuticals, Inc. (US) 2011-11-23 EP disclosed
US-8040491-B2 Exposure method, substrate stage, exposure apparatus, and device manufacturing method NIKON CORPORATION (JP) 2011-10-18 US disclosed
WO-2010083465-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER RIGEL PHARMACEUTICALS, INC. (US) 2010-07-22 WO disclosed