SCHEMBL29331986

SCHEMBL29331986

Fc1cc(CCCCCc2ccc(Br)c(F)c2)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.40
ALOX15 P16050 3/20 0.40
HTR2A P28223 1/20 0.36
KDM1A O60341 2/20 0.36
KCNH2 Q12809 2/20 0.36
CDK1 P06493 1/20 0.36
KDM1B Q8NB78 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
RARB P10826 2/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
PARP1 P09874 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
SCHEMBL14555727 1.00 IGF1R (0.40) IGF1RALOX15HTR2AKDM1AKCNH2
SCHEMBL13564077 0.91 HTR2A (0.52) HTR2ARARBRARARARG
SCHEMBL7789300 0.91 HTR2A (0.52) HTR2ARARBRARARARG
SCHEMBL7788951 0.91 HTR2A (0.52) HTR2ARARBRARARARG
SCHEMBL19374590 0.89 DAO (0.43) IGF1RALOX15HTR2AHDAC1RARB
SCHEMBL15583715 0.89 IGF1R (0.33) IGF1RALOX15HTR2AKDM1AKCNH2
SCHEMBL8070404 0.88 IGF1R (0.35) IGF1RALOX15KDM1AKCNH2KDM1B
SCHEMBL5866466 0.88 HTR2A (0.48) HTR2ARARBRARARARG
SCHEMBL17295168 0.88 KDM1A (0.34) IGF1RALOX15KDM1AKCNH2KDM1B
SCHEMBL17295280 0.86 CA2 (0.42) IGF1RALOX15

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-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed