SCHEMBL11875855

SCHEMBL11875855

[C-]#[N+]C(=O)c1ccc(CCCCCC)c(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
PPARA Q07869 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARG P37231 2/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 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
SCHEMBL11877622 0.83 CLCN2 (0.39) TSHRMEN1TP53CYP3A4MAPT
SCHEMBL3630534 0.79 CTRC (0.44) TYRTHRBTHRA
SCHEMBL11883381 0.78 THRB (0.60) TSHRMEN1TP53CYP3A4MAPT
SCHEMBL10709892 0.71 TYR (0.46) TYRTSHRMEN1TP53CYP3A4
SCHEMBL9651734 0.70 TYR (0.44) TYRTSHRMEN1TP53CYP3A4
SCHEMBL19987931 0.70 CNR2 (0.40) CYP3A4MAPTTDP1PPARAPPARG
SCHEMBL9717548 0.70 TYR (0.56) TYRTSHRMEN1TP53CYP3A4
SCHEMBL28519385 0.70 PPARA (0.38) TYRTSHRMEN1TP53CYP3A4
SCHEMBL7645227 0.69 BID (0.57) TSHRMAPTALOX15BIDMCL1
Ammonia Solution, Strong SCHEMBL27533196 0.69 TYR (0.47) TYRTSHRMEN1TP53CYP3A4

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
US-3950539-A Substituted diaminoguanidines HOECHST AKTIENGESELLSCHAFT (DT) 1976-04-13 US disclosed