SCHEMBL8714767

SCHEMBL8714767

CSc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.71
KMT2A Q03164 9/20 0.71
MAPT P10636 4/20 0.71
POLB P06746 1/20 0.71
BLM P54132 1/20 0.71
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TP53 P04637 1/20 0.62
TSHR P16473 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
SETD7 Q8WTS6 1/20 0.61
ALDH1A1 P00352 4/20 0.60
THRA P10827 1/20 0.60
LMNA P02545 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58

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
SCHEMBL8710646 0.88 RAB9A (0.60) MEN1KMT2AMAPTPOLBBLM
SCHEMBL10943066 0.86 KMT2A (0.94) MEN1KMT2AMAPTPOLBBLM
SCHEMBL17409104 0.84 MEN1 (0.78) MEN1KMT2AMAPTPOLBBLM
SCHEMBL32690121 0.83 MEN1 (1.00) MEN1KMT2AMAPTPOLBBLM
SCHEMBL18300094 0.83 MEN1 (1.00) MEN1KMT2AMAPTPOLBBLM
SCHEMBL30868371 0.82 KMT2A (0.88) MEN1KMT2AMAPTPOLBBLM
SCHEMBL299879 0.82 KMT2A (0.88) MEN1KMT2AMAPTPOLBBLM
SCHEMBL1028236 0.81 KMT2A (0.78) MEN1KMT2AMAPTPOLBBLM
SCHEMBL1028237 0.81 KMT2A (0.78) MEN1KMT2AMAPTPOLBBLM
SCHEMBL7748130 0.81 SMN1; SMN2 (0.71) MEN1KMT2AMAPTPOLBCYP1A2

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