SCHEMBL8714772

SCHEMBL8714772

Cc1ccsc1NC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.69
MEN1 O00255 5/20 0.69
ALDH1A1 P00352 5/20 0.69
MAPT P10636 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
KDM4E B2RXH2 2/20 0.69
HTT P42858 2/20 0.69
CRHBP P24387 1/20 0.69
CRHR2 Q13324 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.61
POLB P06746 2/20 0.56
BLM P54132 1/20 0.56
LMNA P02545 2/20 0.54
HPGD P15428 2/20 0.54
GAA P10253 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
THRA P10827 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL30821556 0.84 KMT2A (0.65) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8710657 0.84 MAPT (0.59) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL28012109 0.77 KMT2A (0.68) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7748143 0.77 MAPK10 (0.65) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL22348661 0.77 NPC1 (0.72) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13561110 0.76 MAPT (0.76) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8870819 0.76 RAB9A (0.64) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8711130 0.76 MEN1 (0.86) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL24233277 0.75 SMN1; SMN2 (0.70) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL27771294 0.75 KMT2A (0.77) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 EP disclosed