SCHEMBL9290109

SCHEMBL9290109

CCC(S)c1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.54
TSHR P16473 1/20 0.51
MAPT P10636 6/20 0.50
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
LMNA P02545 2/20 0.47
PKM P14618 1/20 0.44
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL10438572 0.83 TSHR (0.53) ADRB2TSHRMAPTALDH1A1TDP1
SCHEMBL11539232 0.80 ADRB2 (0.53) ADRB2TSHRMAPTALDH1A1TDP1
SCHEMBL10800795 0.79 ADRB2 (0.49) ADRB2TSHRMAPTALDH1A1TDP1
SCHEMBL28990038 0.79 ADRB2 (0.49) ADRB2TSHRMAPTALDH1A1TDP1
SCHEMBL7604891 0.79 TSHR (0.56) ADRB2TSHRMAPTALDH1A1TDP1
SCHEMBL978898 0.78 TSHR (0.59) ADRB2TSHRMAPTALDH1A1TDP1
SCHEMBL10607024 0.76 ADRB2 (0.59) ADRB2TSHRMAPTALDH1A1TDP1
SCHEMBL28135866 0.76 TSHR (0.53) ADRB2TSHRMAPTALDH1A1TDP1
SCHEMBL9290112 0.76 ALOX15 (0.47) ADRB2TSHRMAPTALDH1A1TDP1
SCHEMBL4128141 0.76 ADRB2 (0.49) ADRB2TSHRMAPTALDH1A1TDP1

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
WO-2012070069-A2 A PROCESS FOR PREPARATION OF ALBENDAZOLE SEQUENT SCIENTIFIC LIMITED (IN) 2012-05-31 WO disclosed