SCHEMBL9334402

SCHEMBL9334402

CN(C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.60
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
MAPT P10636 4/20 0.60
CYP3A4 P08684 2/20 0.60
MAPK1 P28482 2/20 0.60
PPARG P37231 2/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
PKM P14618 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
CYP2C19 P33261 1/20 0.60
THPO P40225 1/20 0.60
MTOR P42345 1/20 0.60
PMP22 Q01453 1/20 0.60

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
SCHEMBL20050377 0.85 RORC (0.64) RORCKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL4361418 0.83 RORC (0.65) RORCKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL7128741 0.81 MAPT (0.82) RORCKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL7465077 0.81 RORC (0.55) RORCKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5396641 0.80 L3MBTL1 (0.69) RORCKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL7460757 0.80 CYP1A2 (0.64) RORCKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL4695652 0.79 KMT2A (0.66) RORCKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL7120601 0.79 MAPT (0.77) RORCKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL7597164 0.78 RORC (0.59) RORCKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL9334396 0.78 RORC (0.52) RORCKMT2AMEN1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0348826-B1 Isobenzothiazolone chromogenic thiol indicators and their derivatives MILES INC (US) 1994-04-13 EP disclosed
US-5187265-A Medical diagnosis MILES INC. (US) 1993-02-16 US disclosed
US-5187105-A Process for determining thiols using chromogenic benzoisothiazolone derivatives MILES INC. (US) 1993-02-16 US disclosed
US-5130433-A Indicators for detection of thiol MILES INC. (US) 1992-07-14 US disclosed
US-5128457-A Medical diagnosis MILES INC. (US) 1992-07-07 US disclosed
EP-0348826-A2 Isobenzothiazolone chromogenic thiol indicators and their derivatives MILES INC. (US) 1990-01-03 EP disclosed