SCHEMBL9334396

SCHEMBL9334396

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.52
KMT2A Q03164 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 4/20 0.52
MAPT P10636 3/20 0.52
CYP3A4 P08684 2/20 0.52
MAPK1 P28482 2/20 0.52
PPARG P37231 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
CYP2C19 P33261 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52
PMP22 Q01453 1/20 0.52

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
SCHEMBL5396641 0.85 L3MBTL1 (0.69) RORCKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL4361418 0.79 RORC (0.65) RORCKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL9334402 0.78 RORC (0.60) RORCKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL9696161 0.78 ALDH1A1 (0.55) RORCKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL1762503 0.77 KMT2A (0.61) RORCKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL10953243 0.76 HSD17B10 (0.62) RORCKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL422653 0.76 GAA (0.64) RORCKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL20045614 0.76 RORC (0.54) RORCKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL18147340 0.76 MAPT (0.52) RORCKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL18146482 0.76 RORC (0.48) RORCKMT2ASMN1; SMN2MEN1MAPT

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