SCHEMBL27155129

SCHEMBL27155129

CCCCCc1c(CCCCC)n(CCCCC)c2ccn(CCCCC)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
LMNA P02545 4/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
ADORA2A P29274 2/20 0.34
TRPA1 O75762 1/20 0.34
TLR8 Q9NR97 7/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
EEF2K O00418 1/20 0.33
PLK4 O00444 1/20 0.33
JAK2 O60674 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL1925550 0.69 TLR8 (0.40) KDM4ELMNAHTTSMN1; SMN2MAPT
SCHEMBL31347845 0.67 ALDH1A1 (0.33) KDM4ELMNAHTTALDH1A1ADORA2A
SCHEMBL23691650 0.64 ALDH1A1 (0.43) KDM4ELMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL11727665 0.64 MAPK10 (0.38) KDM4ELMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL30982511 0.63 APP (0.41) KDM4ELMNAHTTSMN1; SMN2MAPT
SCHEMBL30982652 0.63 APP (0.41) KDM4ELMNAHTTSMN1; SMN2MAPT
SCHEMBL30982501 0.63 APP (0.41) KDM4ELMNAHTTSMN1; SMN2MAPT
SCHEMBL3807141 0.63 KDM4E (0.57) KDM4ELMNAHTTSMN1; SMN2MAPT
SCHEMBL9354571 0.63 APP (0.57) KDM4ELMNAHTTSMN1; SMN2MAPT
SCHEMBL18307589 0.62 CDK4 (0.52) KDM4ELMNAHTTSMN1; SMN2MAPT

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
US-20240067774-A1 PYRROLE DERIVED COMPOSITIONS AND SYTHESIS METHODS KENNESAW STATE UNIVERSITY RESEARCH AND SERVICE FOUNDATION, INC. 2024-02-29 US disclosed
WO-2024035888-A1 PYRROLE DERIVED COMPOSITIONS AND SYTHESIS METHODS KENNESAW STATE UNIVERSITY RESEARCH AND SERVICE FOUNDATION, INC. (US) 2024-02-15 WO disclosed