SCHEMBL28267403

SCHEMBL28267403

O=C(O)c1cc(O)nc2ccccc12.[CaH2]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
LMNA P02545 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
PDE10A Q9Y233 1/20 0.62
AKR1C3 P42330 1/20 0.60
AKR1C2 P52895 1/20 0.60
AKR1C1 Q04828 1/20 0.60
POLB P06746 4/20 0.59
DHODH Q02127 3/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HTT P42858 1/20 0.54
ALDH1A1 P00352 1/20 0.53
ESR1 P03372 1/20 0.53
TP53 P04637 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL662652 0.98 KDM4E (0.64) KDM4ELMNASMN1; SMN2PDE10AAKR1C3
SCHEMBL30172583 0.98 KDM4E (0.64) KDM4ELMNASMN1; SMN2PDE10AAKR1C3
Hydrochloric Acid SCHEMBL11329279 0.96 KDM4E (0.62) KDM4ELMNASMN1; SMN2PDE10AAKR1C3
SCHEMBL10202038 0.84 NPC1 (0.49) KDM4ELMNASMN1; SMN2PDE10AAKR1C3
SCHEMBL7328160 0.84 AKR1C3 (0.48) KDM4ELMNASMN1; SMN2PDE10AAKR1C3
SCHEMBL27632452 0.84 AKR1C3 (0.48) KDM4ELMNASMN1; SMN2PDE10AAKR1C3
SCHEMBL5202032 0.84 NCOA1 (0.65) KDM4ELMNASMN1; SMN2PDE10AAKR1C3
SCHEMBL29157289 0.81 NPC1 (0.50) KDM4ELMNASMN1; SMN2PDE10AAKR1C3
SCHEMBL29359819 0.81 KDM4E (0.83) KDM4ELMNASMN1; SMN2PDE10AAKR1C3
SCHEMBL18746 0.81 KDM4E (0.83) KDM4ELMNASMN1; SMN2PDE10AAKR1C3

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
CN-109021607-A A kind of production method of disperse yellow 54 常州大学 2018-12-18 CN disclosed