SCHEMBL11403241

SCHEMBL11403241

C/C(C=C(Cl)Cl)=C\CSc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
MAPT P10636 7/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
POLB P06746 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 2/20 0.38
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.35
ADRB2 P07550 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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 1.00 TSHR (0.40) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL11484267 0.87 TDP1 (0.45) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL11401603 0.85 TSHR (0.38) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL11401606 0.85 TSHR (0.38) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL11399553 0.82
SCHEMBL11401984 0.77 TSHR (0.41) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL11401988 0.77 TSHR (0.41) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL11403316 0.76 MAPT (0.44) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL11403313 0.76 MAPT (0.44) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL11484514 0.76 MEN1 (0.47) TSHRMAPTMEN1KMT2AALDH1A1

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-4299837-A IN ANIMALS MONTEDISON S.P.A. (IT) 1981-11-10 US disclosed