SCHEMBL8710657

SCHEMBL8710657

Cc1ccsc1NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.59
NPC1 O15118 7/20 0.59
KDM4E B2RXH2 2/20 0.59
LMNA P02545 1/20 0.59
RAB9A P51151 7/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HTT P42858 4/20 0.52
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MITF O75030 1/20 0.49
POLB P06746 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48

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
SCHEMBL8714772 0.84 KMT2A (0.69) MAPTNPC1KDM4ELMNARAB9A
SCHEMBL30821443 0.82 MAPK10 (0.67) MAPTNPC1KDM4ELMNARAB9A
SCHEMBL7748143 0.79 MAPK10 (0.65) MAPTNPC1KDM4ELMNARAB9A
SCHEMBL5666106 0.75 ALDH1A1 (0.60) MAPTKDM4ELMNARAB9ASMN1; SMN2
SCHEMBL7367686 0.75 RORC (0.63) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL16728064 0.75 KMT2A (0.74) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL4743658 0.74 NPC1 (0.68) MAPTNPC1KDM4ELMNARAB9A
SCHEMBL3191246 0.74 NPC1 (1.00) MAPTNPC1KDM4ELMNARAB9A
SCHEMBL7377084 0.74 ALDH1A1 (0.71) MAPTNPC1KDM4ELMNARAB9A
SCHEMBL5049650 0.74 PKM (0.45) MAPTNPC1KDM4ERAB9ASMN1; 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