SCHEMBL19114643

SCHEMBL19114643

O=[N+]([O-])c1ccsc1-c1sccc1SCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.50
GSTP1 P09211 2/20 0.49
GSTM2 P28161 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 4/20 0.43
RAB9A P51151 1/20 0.43
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EGFR P00533 1/20 0.41
PDE7A Q13946 1/20 0.41
CTSB P07858 1/20 0.40
PTPRG P23470 2/20 0.38

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
SCHEMBL3776805 0.80 MEN1 (0.51) PTPRCGSTP1GSTM2MEN1KMT2A
SCHEMBL5376331 0.76 MEN1 (0.65) GSTP1GSTM2MEN1KMT2ACYP1A2
SCHEMBL19114413 0.75 POLB (0.56) PTPRCCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL11826120 0.74 PDE7A (0.43) MEN1KMT2ACYP3A4ALDH1A1MAPT
SCHEMBL7459172 0.72 ALDH1A1 (0.55) MEN1KMT2ACYP1A2ALDH1A1MAPT
SCHEMBL17784719 0.70 GSTP1 (0.53) GSTP1GSTM2MEN1KMT2ACYP1A2
SCHEMBL15155567 0.70 CYP3A4 (0.55) GSTP1GSTM2MEN1KMT2ACYP1A2
SCHEMBL30310237 0.70 KMT2A (0.54) GSTP1GSTM2MEN1KMT2ACYP1A2
SCHEMBL22587912 0.70 MEN1 (0.54) GSTP1GSTM2MEN1KMT2ACYP1A2
SCHEMBL28127 0.69 PDE7A (0.55) GSTP1GSTM2MEN1KMT2ACYP1A2

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-2017120572-A1 DITHIOPHENETHIADIAZOLE SEMICONDUCTORS AND RELATED DEVICES FLEXTERRA, INC. (US) 2017-07-13 WO disclosed