SCHEMBL21111089

SCHEMBL21111089

O=C(O)c1c[nH]c2cc(N3CCN(C(=O)CBr)CC3)c(F)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.51
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 7/20 0.44
DRD3 P35462 1/20 0.44
HPGD P15428 5/20 0.43
USP2 O75604 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
PTPN7 P35236 1/20 0.43
LMNA P02545 5/20 0.43
HTT P42858 3/20 0.43
TSHR P16473 2/20 0.43
BRD4 O60885 1/20 0.43
CYP2J2 P51589 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3R1 P27986 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
SCHEMBL10743065 0.84 KDM4E (0.50) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL3401906 0.84 KDM4E (0.52) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL9379704 0.83 ALDH1A1 (0.58) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL17475410 0.83 KDM4E (0.51) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL3341252 0.82 KDM4E (0.58) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL9626251 0.81 KDM4E (0.47) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL5307312 0.81 KDM4E (0.49) HSD17B10MEN1KMT2AKDM4EALDH1A1
Cyclopropane SCHEMBL3447310 0.80 ALDH1A1 (0.56) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL7542900 0.79 ALDH1A1 (0.46) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL7542895 0.79 ALDH1A1 (0.46) HSD17B10MEN1KMT2AKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019135010-A1 TIACUMICIN DERIVATIVES AND THEIR USE AS ANTIBIOTICS Universität Zürich (CH) 2019-07-11 WO disclosed
EP-3508492-A1 TIACUMICIN DERIVATIVES AND THEIR USE AS ANTIBIOTICS Universität Zürich (CH) 2019-07-10 EP disclosed