SCHEMBL31498421

SCHEMBL31498421

CCCCCCCCc1ccc2c(c1)[nH]c1cc(Br)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
PTGES O14684 2/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
LMNA P02545 2/20 0.42
LPL P06858 3/20 0.41
LIPG Q9Y5X9 3/20 0.41
TRPV1 Q8NER1 1/20 0.41
MGLL Q99685 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41

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
SCHEMBL9707132 0.91 KIF11 (0.51) KIF11HTR1AHTR1DHTR1BPTGES
SCHEMBL9707156 0.91 KIF11 (0.51) KIF11HTR1AHTR1DHTR1BPTGES
SCHEMBL9707151 0.91 KIF11 (0.51) KIF11HTR1AHTR1DHTR1BPTGES
SCHEMBL28298246 0.91 KIF11 (0.51) KIF11HTR1AHTR1DHTR1BPTGES
SCHEMBL9707129 0.91 KIF11 (0.51) KIF11HTR1AHTR1DHTR1BPTGES
SCHEMBL18611883 0.84 KIF11 (0.55) KIF11HTR1AHTR1DHTR1BPTGES
SCHEMBL23837219 0.83 KIF11 (0.66) KIF11PTGESCTSVCTSLKDM4E
SCHEMBL9707140 0.83 KIF11 (0.49) KIF11HTR1AHTR1DHTR1BPTGES
SCHEMBL9707187 0.83 KIF11 (0.49) KIF11HTR1AHTR1DHTR1BPTGES
SCHEMBL9707166 0.83 KIF11 (0.66) KIF11PTGESCTSVCTSLKDM4E

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
CN-119842071-A Conductive polymer material, preparation method and application 北京大学深圳研究生院 2025-04-18 CN disclosed