SCHEMBL6923251

SCHEMBL6923251

O=S(=O)(c1cccc(NC2CCN(c3n[c]c(-c4nc5ccccc5s4)cn3)CC2)c1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IRAK4 Q9NWZ3 5/20 0.35
LMNA P02545 3/20 0.35
ACLY P53396 1/20 0.34
HPGD P15428 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSP90AA1 P07900 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SCN9A Q15858 1/20 0.33
SSTR5 P35346 1/20 0.33
NPC1 O15118 2/20 0.33

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
SCHEMBL5975398 0.82 IRAK4 (0.37) MAPTALDH1A1KDM4ETSHRMAPK1
SCHEMBL5596559 0.75 TRPV1 (0.41) SCN9ACA12CA1CA2CA4
SCHEMBL2878786 0.75 MAPK10 (0.44) ACLYSCN9ACNR1CNR2
SCHEMBL5596399 0.71 HTR1A (0.48) MAPTALDH1A1KDM4ETSHRHSD17B10
SCHEMBL4198114 0.69 ACLY (0.37) MAPTALDH1A1TSHRMAPK1HSD17B10
SCHEMBL5596653 0.69 SCD (0.42) MAPTALDH1A1KDM4ETSHRLMNA
SCHEMBL5596130 0.67 IRAK4 (0.44) ALDH1A1KDM4ETSHRHSD17B10IRAK4
SCHEMBL17072025 0.66 HTR6 (0.42) KDM4ELMNACA2CNR1
SCHEMBL2419356 0.64 HTR6 (0.54)
SCHEMBL27666204 0.64 SCN4A (0.50) MAPTALDH1A1TSHRHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450792-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA Applied Research Systems ARS Holding N.V. (AN) 2004-09-01 EP disclosed
WO-2003047570-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-06-12 WO disclosed
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP disclosed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO disclosed