SCHEMBL9738280

SCHEMBL9738280

Cc1c(Br)cccc1C1OCC(C)(C)CO1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HTR2B P41595 2/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SOAT1 P35610 1/20 0.35
CYBB P04839 2/20 0.32
NOX5 Q96PH1 2/20 0.32
NOX1 Q9Y5S8 2/20 0.32
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM1A O60341 1/20 0.30
RCOR1 Q9UKL0 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL28873682 0.84 SMN1; SMN2 (0.48) SMN1; SMN2HTR2BHTR1AHTR7TMEM97
SCHEMBL29946544 0.82 NSD2 (0.36) HTR2BHTR1AHTR7TMEM97SIGMAR1
SCHEMBL18119745 0.78 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ASOAT1MEN1
SCHEMBL334829 0.77 SMN1; SMN2 (0.38) SMN1; SMN2HTR2BHTR1AHTR7TMEM97
SCHEMBL5839553 0.73 ALDH1A1 (0.33) HTR2BHTR2C
SCHEMBL31753138 0.72 SMN1; SMN2 (0.35) SMN1; SMN2HTR2BHTR1AHTR7TMEM97
SCHEMBL15890435 0.71 SMN1; SMN2 (0.52) SMN1; SMN2HTR2BHTR1AHTR7TMEM97
SCHEMBL13898705 0.69 HTR2C (0.48) HTR2BHTR1AHTR7TMEM97SIGMAR1
SCHEMBL4263866 0.68 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ASOAT1MEN1
SCHEMBL3105747 0.68 KDM1A (0.43) SMN1; SMN2HTR2BNPC1RAB9ASOAT1

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-5089635-A Antiprogesterone, antiglucocorticoids SCHERING AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed