SCHEMBL28879008

SCHEMBL28879008

Cc1ccnc(-c2ccc(C(C)(C)C)cc2)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.49
DHODH Q02127 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
SRD5A2 P31213 1/20 0.40
RXRB P28702 1/20 0.40

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
SCHEMBL5532401 0.82 DHODH (0.49) DHODHKMT2A
SCHEMBL3935826 0.74 KDM4E (0.61) TRPV1KDM4EALDH1A1KMT2A
SCHEMBL29085964 0.74 GLRA3 (0.36) KDM4EALDH1A1KMT2AKDM5AKDM5B
SCHEMBL22712444 0.70 RAB9A (0.50) DHODHKDM4EALDH1A1KMT2ASRD5A2
SCHEMBL27907482 0.70 MEN1 (0.54) DHODHKDM4EALDH1A1KMT2A
SCHEMBL2858513 0.70 DHODH (0.44) TRPV1DHODHKDM4C
SCHEMBL28052040 0.70 KDM4E (0.54) TRPV1KDM4EALDH1A1KMT2A
SCHEMBL353204 0.69 KDM4E (0.40) KDM4EALDH1A1KMT2AKDM5AKDM4C
SCHEMBL22712424 0.69 RAB9A (0.49) DHODHKDM4EALDH1A1KMT2ASRD5A2
SCHEMBL645855 0.69 KDM4E (0.49) DHODHKDM4EALDH1A1KMT2AKDM4C

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
CN-110520413-A Big ring broad-spectrum antibiotic RQX PHARMACEUTICALS INC 2019-11-29 CN disclosed