SCHEMBL5698473

SCHEMBL5698473

[S]NN1CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.48
CDK4 P11802 1/20 0.48
ALOX15 P16050 1/20 0.48
CCND1 P24385 1/20 0.48
SIGMAR1 Q99720 2/20 0.46
NOTUM Q6P988 1/20 0.43
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 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
SCHEMBL8979214 0.79 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL6216654 0.79 NOTUM (0.47) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL2203263 0.76 NPC1 (0.50) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL11348161 0.76 SIGMAR1 (0.43) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL20900738 0.75 MEN1 (0.48) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7785220 0.75 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL1383225 0.75 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL29985725 0.73 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ANOTUMTSHR
SCHEMBL5120536 0.73 NOTUM (0.50) ALDH1A1MEN1KMT2ASIGMAR1NOTUM
SCHEMBL7126729 0.73 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ANOTUMTSHR

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
EP-1275631-B1 Fluorination with aminosulfur trifluorides AIR PROD & CHEM (US) 2006-07-19 EP disclosed
EP-1275631-A2 Fluorination with aminosulfur trifluorides AIR PRODUCTS AND CHEMICALS, INC. (US) 2003-01-15 EP disclosed