SCHEMBL18708126

SCHEMBL18708126

O=Cc1ccnc(CNCC(O)CO)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ PNP P00491 2/20 0.37
▸ KDM5B Q9UGL1 4/20 0.34
▸ KDM4A O75164 3/20 0.34
▸ KDM5C P41229 3/20 0.34
▸ KDM4B O94953 2/20 0.34
▸ PDGFRB P09619 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ TYMP P19971 1/20 0.33
▸ CD274 Q9NZQ7 5/20 0.33
▸ PDCD1 Q15116 2/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PRKDC P78527 1/20 0.32
▸ BRAF P15056 1/20 0.30
▸ KDM6B O15054 1/20 0.30
▸ KDM5A P29375 1/20 0.30
▸ KDM2B Q8NHM5 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL15636891 0.79 KDM5B (0.49) DNM1KDM4EKDM5BKDM4AKDM5C
SCHEMBL16310760 0.79 KDM5B (0.49) DNM1KDM4EKDM5BKDM4AKDM5C
SCHEMBL18708416 0.75 DNM1 (0.36) DNM1KDM4EPNPKDM5BPDGFRB
SCHEMBL29955237 0.74 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2
SCHEMBL16293002 0.74 KDM5B (0.43) KDM5BKDM4AKDM5CKDM4BKDM6B
SCHEMBL7103571 0.71 PNP (0.42) DNM1KDM4EPNPTYMPCD274
SCHEMBL15994191 0.70 SIRT2 (0.41) KDM5BKDM4AKDM5CKDM4B
SCHEMBL16293691 0.70 KDM5B (0.43) KDM5BKDM4AKDM5CKDM6BKDM5A
SCHEMBL16294293 0.69 KDM5B (0.46) KDM4EKDM5BKDM4AKDM5CKDM4B
SCHEMBL16293697 0.69 KDM5C (0.47) KDM4EKDM5BKDM4AKDM5CKDM4B

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
EP-3150582-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-04-05 — — EP disclosed
Send feedback