SCHEMBL9149368

SCHEMBL9149368

O=C(Nc1ccc(C(=O)O)c(O)c1)OCCOc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
RAB9A P51151 4/20 0.58
MEN1 O00255 4/20 0.58
NPC1 O15118 2/20 0.58
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
PYGL P06737 1/20 0.48
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL9149942 0.91 MEN1 (0.58) KMT2ARAB9AMEN1NPC1TSHR
SCHEMBL9149732 0.89 RAB9A (0.66) KMT2ARAB9AMEN1NPC1TSHR
SCHEMBL8652016 0.88 LMNA (0.65) KMT2ARAB9AMEN1NPC1TSHR
SCHEMBL9147252 0.86 RAB9A (0.61) KMT2ARAB9AMEN1NPC1TSHR
SCHEMBL7995865 0.83 NPC1 (0.67) KMT2ARAB9AMEN1NPC1TSHR
SCHEMBL8655646 0.82 KDM4E (0.60) KMT2ARAB9AMEN1PYGLHPGD
SCHEMBL8067440 0.82 MAPT (0.58) KMT2ARAB9ATSHRSMN1; SMN2HSD17B10
SCHEMBL9146869 0.81 PYGL (0.51) KMT2ARAB9AMEN1NPC1TSHR
SCHEMBL9146999 0.81 KMT2A (0.51) KMT2ARAB9AMEN1NPC1TSHR
SCHEMBL8604682 0.80 KMT2A (0.54) KMT2ARAB9AMEN1SMN1; SMN2LMNA

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
US-5476957-A Dye for heat sensitive recording MITSUI TOATSU CHEMICALS, INC. (JP) 1995-12-19 US disclosed