SCHEMBL33377002

SCHEMBL33377002

CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]c3cc(Br)ncc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
PARP1 P09874 1/20 0.41
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
AVPR1A P37288 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BTK Q06187 1/20 0.39
KCNH2 Q12809 1/20 0.39
SPR P35270 2/20 0.38
ATM Q13315 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
JAK1 P23458 1/20 0.38

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
SCHEMBL33377011 0.84 HRH4 (0.42) POLBAVPR1AKDM4EALDH1A1HPGD
SCHEMBL16610331 0.81 KDM4E (0.47) POLBKDM4EALDH1A1THRBJAK1
SCHEMBL25433906 0.79 SMN1; SMN2 (0.45) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL31609598 0.79 SMN1; SMN2 (0.45) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL22657809 0.78 POLB (0.51) POLBMEN1KMT2ATP53THRB
SCHEMBL16610322 0.77 NR1H2 (0.36) CKS1BSKP1SKP2BTKKCNH2
SCHEMBL31609594 0.77 AVPR1A (0.41) AVPR1AALDH1A1HPGD
SCHEMBL25432976 0.77 AVPR1A (0.41) AVPR1AALDH1A1HPGD
SCHEMBL16599242 0.77 GFER (0.62) POLBPARP1AVPR1AKMT2AALDH1A1
SCHEMBL16610447 0.76 JAK2 (0.48) KDM4EALDH1A1HPGDHSD17B10JAK1

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-4482583-B1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2026-04-01 EP disclosed