SCHEMBL8502182

SCHEMBL8502182

CN1c2ccccc2Oc2cccc(OC=O)c21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 12/20 0.40
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
P2RX1 P51575 2/20 0.33
P2RX3 P56373 1/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL8501921 0.75 MAOA (0.51) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
Formic Acid SCHEMBL8502185 0.73 P2RX4 (0.49) P2RX4KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL31067286 0.72 KDM4E (0.55) P2RX4KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL47007 0.72 KDM4E (0.55) P2RX4KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL23346891 0.70 KDM4E (0.41) P2RX4KDM4EALDH1A1MAPTSMN1; SMN2
Hydrogen Sulfide SCHEMBL28845788 0.70 KDM4E (0.53) P2RX4KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL16644616 0.66 KDM4E (0.40) P2RX4KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL8711483 0.66 ALDH1A1 (0.43) P2RX4KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL9881101 0.65 ALDH1A1 (0.42) KDM4EALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL12777526 0.65 KDM4E (0.44) P2RX4KDM4EALDH1A1MAPTSMN1; SMN2

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-5965510-A USING AGENT COMPRISING AN ORGANIC CHEMICAL COMPOUND CONSISTING OF AT LEAST TWO AROMATIC RINGS, OF WHICH AROMATIC RINGS AT LEAST ONE RING IS SUBSTITUTED WITH NITROGEN AND OXYGEN OR SULFUR; WASHING, BLEACHING NOVO NORDISK A/S (DK) 1999-10-12 US disclosed