SCHEMBL27589570

SCHEMBL27589570

O=C(Nc1nc(-c2cccs2)cs1)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.59
▸ KMT2A Q03164 9/20 0.57
▸ MEN1 O00255 8/20 0.57
▸ MAPT P10636 6/20 0.57
▸ LMNA P02545 3/20 0.57
▸ HTT P42858 3/20 0.57
▸ F2 P00734 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.56
▸ RORC P51449 5/20 0.55
▸ SMN1; SMN2 Q16637 6/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ MAPK1 P28482 3/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ CYP3A4 P08684 2/20 0.54

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
SCHEMBL7128794 0.85 MEN1 (0.69) KMT2AMEN1MAPTLMNAHTT
SCHEMBL7128929 0.85 RAB9A (0.67) KMT2AMEN1MAPTLMNAHTT
SCHEMBL7130345 0.84 MEN1 (0.73) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL7127621 0.83 ABL1 (0.63) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL27571288 0.83 ADORA3 (0.71) HSP90AA1KMT2AMEN1MAPTLMNA
SCHEMBL27571249 0.82 MAPT (0.71) KMT2AMEN1MAPTLMNAHTT
SCHEMBL19435568 0.82 RAB9A (0.61) KMT2AMEN1MAPTLMNAHTT
SCHEMBL7127473 0.82 RORC (0.61) KMT2AMEN1MAPTLMNAHTT
SCHEMBL7125386 0.82 RAB9A (0.59) KMT2AMEN1MAPTLMNAHTT
SCHEMBL7130323 0.81 RORC (0.63) KMT2AMEN1MAPTLMNAHTT

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
CN-1440383-A PPAR gamma modulators SANKYO CO (JP) 2003-09-03 — — CN disclosed
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