SCHEMBL1978248

SCHEMBL1978248

CC(=O)SC(C)c1ccc(Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
NAPRT Q6XQN6 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34

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
SCHEMBL13235872 0.77 NAPRT (0.44) DGAT1NAPRTALDH1A1SMN1; SMN2POLB
SCHEMBL19525331 0.77 SMN1; SMN2 (0.40) DGAT1NAPRTSMN1; SMN2POLBCYP3A4
SCHEMBL1963300 0.77 BRD4 (0.50) SMN1; SMN2POLBMEN1KMT2ARAB9A
SCHEMBL19752631 0.77 SMN1; SMN2 (0.40) DGAT1NAPRTSMN1; SMN2POLBCYP3A4
SCHEMBL27478228 0.75 NAPRT (0.46) DGAT1NAPRTALDH1A1SMN1; SMN2POLB
SCHEMBL31420077 0.74 NAPRT (0.48) NAPRTSMN1; SMN2POLBPKMLMNA
SCHEMBL7783101 0.74 NAPRT (0.44) DGAT1NAPRTALDH1A1SMN1; SMN2POLB
SCHEMBL1747676 0.74 NAPRT (0.48) NAPRTSMN1; SMN2POLBPKMLMNA
SCHEMBL11446345 0.72 BRD4 (0.46) ALDH1A1SMN1; SMN2LMNASLC6A4SLC6A3
SCHEMBL594060 0.72 CYP3A4 (0.42) DGAT1NAPRTALDH1A1SMN1; SMN2POLB

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
WO-2011069955-A1 SULFONIMIDAMIDE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2011-06-16 WO disclosed
WO-2011069955-A1 SULFONIMIDAMIDE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2011-06-16 WO disclosed