SCHEMBL8335356

SCHEMBL8335356

O=C(O)Cc1cc(-c2ccccn2)nc2cc(C(=O)O)ccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
KDM6B O15054 1/20 0.52
KDM4A O75164 1/20 0.52
KDM5C P41229 1/20 0.52
KDM4C Q9H3R0 1/20 0.52
KDM2A Q9Y2K7 1/20 0.52
KDM3A Q9Y4C1 1/20 0.52
METAP1 P53582 2/20 0.49
ADORA3 P0DMS8 2/20 0.48
CYP2C9 P11712 3/20 0.44
CYP3A4 P08684 1/20 0.44
DHODH Q02127 1/20 0.44
PARP1 P09874 1/20 0.44
CSNK2A1 P68400 3/20 0.43
CSNK2A2 P19784 2/20 0.42
CSNK2B P67870 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL8336614 0.89 KDM4E (0.54) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL7952415 0.87 CYP2C9 (0.56) KDM4EMETAP1ADORA3CYP2C9CYP3A4
SCHEMBL8334151 0.86 ADORA3 (0.46) METAP1ADORA3CYP2C9CYP3A4DHODH
SCHEMBL8335315 0.85 ADORA3 (0.45) KDM4EMETAP1ADORA3CYP2C9CYP3A4
SCHEMBL8334494 0.85 KMT2A (0.48) KDM4EADORA3CYP2C9CYP3A4NPSR1
SCHEMBL8335283 0.85 NPSR1 (0.51) KDM4EMETAP1ADORA3CYP2C9CYP3A4
SCHEMBL8335971 0.85 ADORA3 (0.45) KDM4EMETAP1ADORA3CYP2C9CYP3A4
SCHEMBL8334301 0.81 METAP1 (0.49) KDM4EMETAP1ADORA3NPSR1MAPT
SCHEMBL31025274 0.77 KDM4E (0.62) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL863317 0.73 KDM4E (0.74) KDM4EKDM6BKDM4AKDM5CKDM4C

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-5969150-A FLUORESCENT COMPOUNDS FOR MEDICAL DIAGNOSIS, DRUGS AND LABELS OR FUNGICIDES AND VIRICIDES THE ROCKEFELLER UNIVERSITY (US) 1999-10-19 US disclosed