SCHEMBL11484267

SCHEMBL11484267

Nc1ccc(SCC=C(Cl)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 2/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 1/20 0.45
LMNA P02545 1/20 0.43
TSHR P16473 2/20 0.43
PKM P14618 1/20 0.38
PDE7A Q13946 3/20 0.37
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
ADRB2 P07550 1/20 0.36
GPR35 Q9HC97 1/20 0.36
PDE7B Q9NP56 1/20 0.35

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
SCHEMBL11403242 0.87 TSHR (0.40) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL11403241 0.87 TSHR (0.40) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL11484514 0.84 MEN1 (0.47) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL10828201 0.81 KMT2A (0.49) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL11483359 0.79 TDP1 (0.33) TDP1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL11401988 0.78 TSHR (0.41) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL11401984 0.78 TSHR (0.41) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL11401603 0.77 TSHR (0.38) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL11401606 0.77 TSHR (0.38) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL18815092 0.76 TSHR (0.54) TDP1MEN1KMT2AALDH1A1MAPT

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-4182893-A COMBATTING INTESTINAL, PULMONARY, AND HEPATIC PARASITES MONTEDISON S.P.A. (IT) 1980-01-08 US disclosed