SCHEMBL7486751

SCHEMBL7486751

O=S(=O)(Cc1n[nH]c(-c2ccc(F)cc2F)n1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.38
MAPK14 Q16539 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
NSD2 O96028 1/20 0.36
ALPL P05186 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 2/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
BRD4 O60885 1/20 0.35
HSD11B1 P28845 1/20 0.35
POLB P06746 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 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
SCHEMBL7482166 0.87 DCUN1D1 (0.48) ALOX5APALDH1A1DCUN1D1POLBMAPT
SCHEMBL7484505 0.77 NR1H2 (0.46) ALPLALDH1A1KMT2ADCUN1D1POLB
SCHEMBL7488511 0.77 ALOX5AP (0.38) ALOX5APPSEN1PSEN2APH1BNCSTN
SCHEMBL7425395 0.72 SMN1; SMN2 (0.50) ALPLALDH1A1KMT2AMEN1
SCHEMBL7482899 0.71 HPGD (0.48) ALPLALDH1A1KMT2APOLBMEN1
SCHEMBL7434319 0.71 GRK6 (0.47) ALDH1A1KMT2AMEN1MAPT
SCHEMBL7487218 0.70 SMN1; SMN2 (0.51) ALPLMAPT
SCHEMBL7480819 0.70 ALDH1A1 (0.42) ALDH1A1POLBMAPT
SCHEMBL7482611 0.67 PSIP1 (0.41) ALDH1A1KMT2APOLBMEN1MAPT
SCHEMBL28331627 0.64 MEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214322-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-19 EP disclosed
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed
WO-2001017999-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-15 WO disclosed