SCHEMBL8370682

SCHEMBL8370682

O=C(O)NC1CCc2c1cccc2[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 3/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.38
DRD2 P14416 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ABCC4 O15439 1/20 0.38
PLIN1 O60240 1/20 0.38
CACNA1F O60840 1/20 0.38
GMNN O75496 1/20 0.38
KCNK2 O95069 1/20 0.38
ABCB11 O95342 1/20 0.38
GSR P00390 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL8516525 0.92 KMT2A (0.56) KMT2AMEN1ALDH1A1L3MBTL1TDP1
SCHEMBL7220671 0.78 NR4A1 (0.41) KMT2AMEN1ALDH1A1L3MBTL1TDP1
SCHEMBL4278160 0.78 TAS1R3 (0.55) DRD2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8370695 0.77 HSD17B2 (0.46) KMT2AMEN1LMNAMAOACCR2
SCHEMBL22501405 0.77 GID4 (0.41) KMT2AMEN1LMNAMAOA
SCHEMBL1881338 0.77 GID4 (0.41) KMT2AMEN1LMNAMAOA
SCHEMBL35212357 0.76 GPR35 (0.44) KMT2AMEN1ALDH1A1L3MBTL1TDP1
SCHEMBL18339431 0.76 GPR35 (0.44) KMT2AMEN1ALDH1A1L3MBTL1TDP1
SCHEMBL35212373 0.76 GPR35 (0.44) KMT2AMEN1ALDH1A1L3MBTL1TDP1
SCHEMBL1573408 0.76 GPR35 (0.44) KMT2AMEN1ALDH1A1L3MBTL1TDP1

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-1999052857-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1999-10-21 WO disclosed