SCHEMBL7963674

SCHEMBL7963674

O=C(O)c1ccnc(-c2nccc(C(=O)O)c2-c2ccc3ccccc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 10/20 0.48
KDM4A O75164 3/20 0.48
KDM6B O15054 2/20 0.48
KDM5C P41229 2/20 0.48
KDM2A Q9Y2K7 2/20 0.48
KDM3A Q9Y4C1 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CTRC Q99895 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
SOS1 Q07889 1/20 0.45
HIF1A Q16665 1/20 0.45
KMO O15229 1/20 0.44
ACMSD Q8TDX5 1/20 0.44
KDM5B Q9UGL1 5/20 0.42
KDM5A P29375 4/20 0.42
KDM2B Q8NHM5 4/20 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
SCHEMBL528803 0.81 KDM4C (0.53) KDM4CKDM4AKDM6BKDM5CKDM2A
SCHEMBL17220133 0.80 KDM4C (0.51) KDM4CKDM4AKDM6BKDM5CKDM2A
SCHEMBL9009356 0.72 ACMSD (0.62) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL2317461 0.72 KDM4C (0.52) KDM4CKDM4AKDM6BKDM5CKDM2A
SCHEMBL4094629 0.72 KDM4E (0.61) KDM4ETSHRACMSDMEN1KMT2A
SCHEMBL7952527 0.72 KDM4C (0.53) KDM4CKDM4AKDM6BKDM5CKDM2A
SCHEMBL10526279 0.71 KDM4C (0.49) KDM4CKDM4AKDM6BKDM5CKDM2A
SCHEMBL7965043 0.71 KDM4C (0.51) KDM4CKDM4AKDM6BKDM5CKDM2A
SCHEMBL648273 0.70 KDM4C (0.71) KDM4CKDM4AKDM6BKDM5CKDM2A
SCHEMBL29541336 0.70 KDM4C (0.71) KDM4CKDM4AKDM6BKDM5CKDM2A

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