SCHEMBL8940192

SCHEMBL8940192

NC(=S)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 3/20 0.54
CRHR2 Q13324 3/20 0.54
ALDH1A1 P00352 7/20 0.50
AR P10275 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 1/20 0.49
TLR9 Q9NR96 1/20 0.49
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NR3C1 P04150 1/20 0.46
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46

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
SCHEMBL27890501 0.94 CRHBP (0.58) CRHBPCRHR2ALDH1A1ARCYP1A2
SCHEMBL599831 0.85 CRHBP (0.63) CRHBPCRHR2ALDH1A1ARCYP1A2
SCHEMBL8612544 0.84 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MGLLHTT
SCHEMBL16718679 0.81 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL3156574 0.79 CRHBP (0.56) CRHBPCRHR2ALDH1A1ARCYP1A2
SCHEMBL3155557 0.79 CRHBP (0.52) CRHBPCRHR2ALDH1A1ARCYP1A2
SCHEMBL27781777 0.79 CRHBP (0.53) CRHBPCRHR2ALDH1A1CYP1A2CYP2C19
SCHEMBL8940199 0.79 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL8616953 0.79 SLC22A2 (0.47) ALDH1A1SMN1; SMN2MGLLHTT
SCHEMBL3154735 0.78 CRHBP (0.55) CRHBPCRHR2ALDH1A1ARCYP1A2

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
US-5567411-A ADMINISTERING TO A WARM-BLOODED ANIMAL TO OBTAIN A MAGNETIC RESONANCE IMAGE OF SUBJECT STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1996-10-22 US disclosed