SCHEMBL7965047

SCHEMBL7965047

O=C(O)c1ccc(Cc2c(C(=O)O)ccnc2-c2ccccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
KDM4A O75164 2/20 0.47
KDM4C Q9H3R0 2/20 0.47
TSHR P16473 1/20 0.47
KDM6B O15054 1/20 0.47
KDM5C P41229 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
KDM3A Q9Y4C1 1/20 0.47
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GABRA5 P31644 1/20 0.41
SRD5A2 P31213 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HPGDS O60760 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CSNK2A1 P68400 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL7965043 0.83 KDM4C (0.51) KDM4EKDM4AKDM4CKDM6BKDM5C
SCHEMBL28999920 0.74 KDM4E (0.52) KDM4EKDM4AKDM4CTSHRKDM6B
SCHEMBL87737 0.73 KDM4E (0.50) KDM4EKDM4AKDM4CTSHRKDM6B
SCHEMBL8952364 0.72 KDM4E (0.49) KDM4EKDM4AKDM4CTSHRKDM6B
SCHEMBL29364955 0.72 KDM4E (0.49) KDM4EKDM4AKDM4CTSHRKDM6B
SCHEMBL28320236 0.72 NPC1 (0.47) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL15238291 0.72 KDM4E (0.49) KDM4EKDM4AKDM4CTSHRKDM6B
SCHEMBL28556199 0.72 KDM4E (0.49) KDM4EKDM4AKDM4CTSHRKDM6B
SCHEMBL31663481 0.72 KDM4E (0.49) KDM4EKDM4AKDM4CTSHRKDM6B
Dipyridyl SCHEMBL28117961 0.72 KDM4E (0.75) KDM4EKDM4AKDM4CTSHRKDM6B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187928-B1 TREATING FUNGAL DISEASES THE ROCKEFELLER UNIVERSITY 2001-02-13 US disclosed
US-6087510-A Method of use of imidazolium cations THE ROCKEFELLER UNIVERSITY (US) 2000-07-11 US disclosed
US-5969150-A FLUORESCENT COMPOUNDS FOR MEDICAL DIAGNOSIS, DRUGS AND LABELS OR FUNGICIDES AND VIRICIDES THE ROCKEFELLER UNIVERSITY (US) 1999-10-19 US disclosed
US-5874587-A FLUORESCENCE THE ROCKEFELLER UNIVERSITY (US) 1999-02-23 US disclosed