SCHEMBL31190872

SCHEMBL31190872

O=C(O)n1nc(I)c2c([N+](=O)[O-])cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
GPR35 Q9HC97 1/20 0.39
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MET P08581 1/20 0.37
APEX1 P27695 1/20 0.37
PLA2G2A P14555 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TYMS P04818 1/20 0.36
CCR2 P41597 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
STAT1 P42224 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL31190618 0.81 MET (0.38) TDP1L3MBTL1METPLA2G2AALDH1A1
SCHEMBL3598244 0.81 MET (0.38) TDP1L3MBTL1METPLA2G2AALDH1A1
SCHEMBL4784455 0.80 HCAR3 (0.39) TDP1GPR35TSHRL3MBTL1PLA2G2A
SCHEMBL2048737 0.74 PLA2G2A (0.44) L3MBTL1PLA2G2ARAB9APOLB
SCHEMBL18953635 0.74 CREBBP (0.48) TDP1GPR35TSHRL3MBTL1ALDH1A1
SCHEMBL18953636 0.74 CREBBP (0.48) TDP1GPR35TSHRL3MBTL1ALDH1A1
SCHEMBL4660529 0.69 ELANE (0.44) TDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3518373 0.69 ELANE (0.50) L3MBTL1SMN1; SMN2
SCHEMBL9952327 0.68 ELANE (0.45) KDM4EPOLB
SCHEMBL11213354 0.68 GPR35 (0.44) TDP1GPR35TSHRL3MBTL1MET

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-2024220747-A2 FLUORINATED CYCLIC DERIVATIVES OF SULFONAMIDES AND SULFONES, AND COMPOSITIONS AND METHODS THEREOF Lysoway Therapeutics, Inc. (US) 2024-10-24 WO disclosed