SCHEMBL14734616

SCHEMBL14734616

C[N+]1(CCCBr)CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.50
LMNA P02545 4/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.43
APOBEC3A P31941 2/20 0.40
APOBEC3G Q9HC16 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CTDSP1 Q9GZU7 2/20 0.36
CHRNA7 P36544 4/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
Bromide SCHEMBL14721646 0.97 BBOX1 (0.48) BBOX1LMNAKMT2AKDM4EAPOBEC3A
SCHEMBL4546781 0.90 LMNA (0.50) BBOX1LMNAKMT2AKDM4EAPOBEC3A
SCHEMBL4546786 0.90 LMNA (0.50) BBOX1LMNAKMT2AKDM4EAPOBEC3A
SCHEMBL14863930 0.90 LMNA (0.50) BBOX1LMNAKMT2AKDM4EAPOBEC3A
SCHEMBL29112841 0.88 LMNA (0.53) BBOX1LMNAKMT2AKDM4EAPOBEC3A
Bromide SCHEMBL31452230 0.88 LMNA (0.49) BBOX1LMNAKMT2AKDM4EAPOBEC3A
Bromide SCHEMBL14915227 0.88 LMNA (0.49) BBOX1LMNAKMT2AKDM4EAPOBEC3A
SCHEMBL14924316 0.88 LMNA (0.53) BBOX1LMNAKMT2AKDM4EAPOBEC3A
SCHEMBL29719599 0.88 LMNA (0.53) BBOX1LMNAKMT2AKDM4EAPOBEC3A
Bromide SCHEMBL14914113 0.86 LMNA (0.51) BBOX1LMNAKMT2AKDM4EAPOBEC3A

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
EP-2748145-B1 SULFUR-CONTAINING ADDITIVES FOR ELECTROCHEMICAL OR OPTOELECTRONIC DEVICES BASF SE (DE) 2016-10-19 EP disclosed
WO-2013026854-A1 SULFUR-CONTAINING ADDITIVES FOR ELECTROCHEMICAL OR OPTOELECTRONIC DEVICES BASF SE (DE) 2013-02-28 WO disclosed