SCHEMBL7095932

SCHEMBL7095932

N#CC(c1ccccc1)N(c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TRPA1 O75762 1/20 0.42
HTR2A P28223 1/20 0.39
TSHR P16473 1/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NAAA Q02083 1/20 0.37
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL7093358 0.89 LMNA (0.50) ALDH1A1LMNASMN1; SMN2TRPA1TSHR
SCHEMBL7095374 0.83 IDO1 (0.42) ALDH1A1LMNASMN1; SMN2TRPA1TSHR
SCHEMBL7090779 0.76 ESR1 (0.48) ALDH1A1LMNASMN1; SMN2TRPA1TSHR
SCHEMBL5773518 0.71 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2TRPA1HTR2A
SCHEMBL2159670 0.70 HTR2A (0.41) ALDH1A1LMNASMN1; SMN2HTR2ATDP1
SCHEMBL1275688 0.69 TRPA1 (0.46) ALDH1A1LMNASMN1; SMN2TRPA1HTR2A
SCHEMBL3447644 0.69 TRPA1 (0.46) ALDH1A1LMNASMN1; SMN2TRPA1HTR2A
SCHEMBL13721485 0.68 HTR2A (0.47) ALDH1A1LMNASMN1; SMN2HTR2AKDM4E
SCHEMBL7093907 0.68 HTR2A (0.56) ALDH1A1HTR2ATSHRTDP1MAPK1
SCHEMBL11321260 0.68 LMNA (0.47) ALDH1A1LMNASMN1; SMN2TRPA1TSHR

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
WO-2003082777-A2 NOVEL GLUCOCORTICOID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-10-09 WO disclosed