SCHEMBL7785220

SCHEMBL7785220

FS(F)(F)NN1CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALOX15 P16050 2/20 0.44
USP2 O75604 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
NOTUM Q6P988 1/20 0.40
TSHR P16473 4/20 0.39
LMNA P02545 3/20 0.38
TP53 P04637 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL1852381 0.79 NOTUM (0.45) ALDH1A1MEN1KMT2AALOX15USP2
SCHEMBL5226699 0.79 MEN1 (0.45) ALDH1A1MEN1KMT2AALOX15USP2
SCHEMBL10746811 0.76 MEN1 (0.44) ALDH1A1MEN1KMT2AALOX15USP2
SCHEMBL5635263 0.76 MAPT (0.51) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL8979214 0.75 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AALOX15USP2
SCHEMBL5698473 0.75 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AALOX15USP2
SCHEMBL2203263 0.72 NPC1 (0.50) ALDH1A1MEN1KMT2AALOX15USP2
SCHEMBL20900738 0.70 MEN1 (0.48) ALDH1A1MEN1KMT2AALOX15USP2
SCHEMBL6216654 0.70 NOTUM (0.47) ALDH1A1MEN1KMT2AALOX15USP2
SCHEMBL1383225 0.70 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AALOX15USP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0908448-B1 Thermally stable aminosulfur trifluorides AIR PROD & CHEM (US) 2001-11-14 EP disclosed
US-6242645-B1 BIOLOGICAL ACTIVITY ENHANCER, DEOXOFLUORINATION AGENT OF INTEREST IN MEDICINAL AND AGROCHEMICAL PRODUCTS AIR PRODUCTS AND CHEMICALS, INC. 2001-06-05 US disclosed
US-6080886-A STABLE, EFFICIENT FLUORINATION WITH LESS POTENTIAL OF VIOLENT DECOMPOSITION AND ATTENDANT HIGH GASEOUS BY-PRODUCT EVOLVEMENT; PRODUCING SYNTHETIC DRUGS AND AGROCHEMICAL PRODUCTS AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-06-27 US disclosed
EP-0908448-A1 Thermally stable aminosulfur trifluorides AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-04-14 EP disclosed
EP-0905109-A1 Fluorination with aminosulfur trifluorides AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-03-31 EP disclosed