SCHEMBL9570633

SCHEMBL9570633

O=[N+]([O-])c1ccc(SCCCCCSc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
ALDH1A1 P00352 4/20 0.58
POLB P06746 1/20 0.58
IDO1 P14902 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CA2 P00918 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CRBN Q96SW2 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
ACHE P22303 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRM2 P08172 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL7354205 0.93 MAPT (0.53) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL10484092 0.91 MAPT (0.51) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL7354209 0.91 CA2 (0.58) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL25241780 0.91 CA2 (0.58) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL11132387 0.91 MAPT (0.51) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL25233694 0.91 CA2 (0.58) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL3578667 0.91 MAPT (0.54) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL8746687 0.90 ALDH1A1 (0.64) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL5694459 0.89 MAPT (0.53) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL9628611 0.89 CA2 (0.57) MAPTALDH1A1POLBIDO1MEN1

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
EP-0533933-A1 BISHETEROCYCLIC COMPOUND YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-31 EP disclosed