SCHEMBL29993116

SCHEMBL29993116

COC(=O)[C@H]1CCN(c2ccc(C(=O)CBr)c(F)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HSD11B1 P28845 4/20 0.39
▸ MAP4K4 O95819 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ TMPRSS15 P98073 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL24238678 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AKDM4ELMNA
SCHEMBL29993414 0.86 MEN1 (0.47) SMN1; SMN2MEN1KMT2AKDM4ELMNA
SCHEMBL24238657 0.86 MEN1 (0.47) SMN1; SMN2MEN1KMT2AKDM4ELMNA
SCHEMBL22680141 0.83 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2AKDM4ELMNA
SCHEMBL28601758 0.80 KDM4E (0.44) SMN1; SMN2MEN1KMT2AKDM4ELMNA
SCHEMBL29993409 0.80 KDM4E (0.44) SMN1; SMN2MEN1KMT2AKDM4ELMNA
SCHEMBL22045433 0.76 PARP1 (0.40) KDM4EHSD11B1MAPTALDH1A1
SCHEMBL22045425 0.76 GRM1 (0.47) SMN1; SMN2MEN1KMT2AKDM4ELMNA
SCHEMBL22680196 0.75 KDM4E (0.48) SMN1; SMN2MEN1KMT2AKDM4ELMNA
SCHEMBL29429460 0.75 KDM4E (0.48) SMN1; SMN2MEN1KMT2AKDM4ELMNA

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-3887372-B1 FURTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2022-10-12 — — EP disclosed
Send feedback