SCHEMBL30366906

SCHEMBL30366906

COC(=O)c1cc(C2=CCN(C(=O)C(C)C)CC2)cc(-c2ccc([N+](=O)[O-])cc2)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.45
SLC6A3 Q01959 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
IKBKB O14920 1/20 0.35
MET P08581 1/20 0.35
KDR P35968 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
QDPR P09417 1/20 0.34
CCR1 P32246 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL30367315 0.91 NAMPT (0.45) NAMPTALDH1A1LMNAIKBKBMET
SCHEMBL30367298 0.73 NAMPT (0.48) NAMPTALDH1A1QDPRCCR1MAPT
SCHEMBL30367544 0.70 NAMPT (0.46) NAMPTALDH1A1MEN1KMT2AQDPR
SCHEMBL31488994 0.70 NAMPT (0.54) NAMPTSLC6A3ALDH1A1LMNAMEN1
SCHEMBL30366893 0.69 MAPT (0.44) NAMPTALDH1A1MAPTRAB9A
SCHEMBL30367401 0.69 NAMPT (0.36) NAMPTALDH1A1LMNAIKBKBMAPT
SCHEMBL30367672 0.69 NAMPT (0.38) NAMPTALDH1A1LMNAIKBKBMAPT
SCHEMBL30367867 0.67 KDM4E (0.40) NAMPTALDH1A1CCR1MAPK1
SCHEMBL31489057 0.67 QDPR (0.44) NAMPTSLC6A3ALDH1A1LMNAMEN1
SCHEMBL5659741 0.67 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2AQDPR

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-2023051464-A1 PYRAZOLOPYRIDINE COMPOUNDS AS TAM INHIBITORS SHANGHAI ANTENGENE CORPORATION LIMITED (CN) 2023-04-06 WO disclosed