SCHEMBL24220554

SCHEMBL24220554

CCCCCCS(=O)(=O)N1CCN(c2cccc(C)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.53
GRM2 Q14416 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PTPN11 Q06124 1/20 0.45
DRD2 P14416 1/20 0.45
ADRB1 P08588 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 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
SCHEMBL10722675 0.85 KMT2A (0.56) MEN1KMT2ADRD2KDM4EGLA
SCHEMBL10723742 0.85 KMT2A (0.56) MEN1KMT2ADRD2KDM4EGLA
SCHEMBL20887230 0.82 LMNA (0.55) KCNH2MEN1KMT2A
SCHEMBL10722375 0.79 KMT2A (0.58) MEN1KMT2ADRD2KDM4EGLA
Bromide SCHEMBL3329889 0.76 LMNA (0.40) GRM2MEN1KMT2AKDM4EGLA
Bromide SCHEMBL3329401 0.76 LMNA (0.40) GRM2MEN1KMT2AKDM4EGLA
SCHEMBL9018985 0.76 SMN1; SMN2 (0.59) KCNH2ADRB1KDM4ETSHRMAPK1
SCHEMBL20887227 0.76 LMNA (0.57) MEN1KMT2AKDM4EGLA
SCHEMBL10722736 0.75 FAAH (0.48) KDM4EGLAHSD17B10
SCHEMBL7122564 0.75 FAAH (0.48) KDM4EGLAHSD17B10

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-3562824-B1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2022-01-26 EP disclosed