SCHEMBL7213110

SCHEMBL7213110

O=C(C=C(O)c1nnn[nH]1)c1cnn(Cc2ccccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.41
ERCC5 P28715 1/20 0.40
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
HDAC1 Q13547 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RPS6KA3 P51812 1/20 0.34
SLC40A1 Q9NP59 2/20 0.34
KDM5B Q9UGL1 1/20 0.34
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALKBH2 Q6NS38 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL4672787 0.82 CREBBP (0.41) CREBBPERCC5KDM4EALDH1A1MAPK1
SCHEMBL4671170 0.80 CREBBP (0.47) CREBBPERCC5KDM4EALDH1A1MAPK1
SCHEMBL4676341 0.79 CREBBP (0.41) CREBBPERCC5KDM4EALDH1A1MAPK1
SCHEMBL15155070 0.75 ALKBH2 (0.55) CREBBPERCC5KDM4EALDH1A1MAPK1
SCHEMBL27259480 0.72 CREBBP (0.56) CREBBPERCC5KDM4EALDH1A1MAPK1
SCHEMBL4674490 0.68 KLKB1 (0.43) CREBBPERCC5ALDH1A1L3MBTL1
SCHEMBL16827699 0.67 CREBBP (0.51) CREBBPKDM4EALDH1A1MAPTLMNA
SCHEMBL4672087 0.67 KDM4C (0.39) ERCC5KDM4EALDH1A1MAPK1MAPT
SCHEMBL3470605 0.67 ERCC5 (0.50) CREBBPERCC5KDM4EALDH1A1MAPT
SCHEMBL4678760 0.65 KLKB1 (0.41) ALDH1A1L3MBTL1

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-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed