SCHEMBL8570801

SCHEMBL8570801

NC(=O)c1cc(N)ccc1SSc1ccc(N)cc1C(N)=O.NC(=O)c1cc([N+](=O)[O-])ccc1SSc1ccc([N+](=O)[O-])cc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.53
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 9/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
CYP3A4 P08684 2/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PDE7A Q13946 2/20 0.46
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 2/20 0.44
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
TLR9 Q9NR96 1/20 0.43

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
SCHEMBL7021564 0.92 KMT2A (0.58) MITFKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8803877 0.84 KMT2A (0.61) KMT2AALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL7017263 0.84 MAPT (0.47) KMT2AALDH1A1CYP3A4POLBMEN1
SCHEMBL4639794 0.78 ALDH1A1 (0.57) KMT2AALDH1A1SMN1; SMN2CYP3A4MEN1
SCHEMBL346217 0.77 KMT2A (0.64) MITFKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL22890327 0.77 KMT2A (0.64) MITFKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL14067634 0.76 ALDH1A1 (0.50) KMT2AALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL6398309 0.76 KMT2A (0.71) MITFKMT2AALDH1A1LMNASMN1; SMN2
Methane SCHEMBL28308571 0.74 KMT2A (0.69) MITFKMT2AALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL29079546 0.74 KMT2A (0.69) MITFKMT2AALDH1A1LMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828488-A1 ISOTHIAZOLONES WARNER-LAMBERT COMPANY (US) 1998-03-18 EP disclosed
WO-1996038144-A1 ISOTHIAZOLONES WARNER-LAMBERT COMPANY (US) 1996-12-05 WO disclosed