SCHEMBL5599653

SCHEMBL5599653

C=CC[C@@H]1c2ccccc2C2(CCNCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 4/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
BLM P54132 1/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
AMY1A P0DUB6 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
TSHR P16473 1/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.33
LMNA P02545 2/20 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
SCHEMBL5599346 0.81 KMT2A (0.37) KMT2ASMN1; SMN2GAA
SCHEMBL5599341 0.77 TSHR (0.33) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL5599671 0.75 KMT2A (0.33) KMT2AMEN1GAALMNAMAPT
SCHEMBL5599440 0.74 MCHR2 (0.33) KMT2AMEN1KDM4E
SCHEMBL5599778 0.72 KMT2A (0.39) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL5578676 0.70 L3MBTL1 (0.49) KMT2ASMN1; SMN2MEN1NPBWR1MCHR1
SCHEMBL5599143 0.69 CYP2C9 (0.37) ALDH1A1
SCHEMBL4764941 0.65 ALDH1A1 (0.72) KMT2ASMN1; SMN2MEN1NPBWR1MCHR1
SCHEMBL5784831 0.63 KMT2A (0.42) KMT2ASMN1; SMN2MEN1L3MBTL1ALDH1A1
SCHEMBL5635880 0.63 GRIN2B (0.44) KMT2AMEN1KDM4E

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-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO claimed