SCHEMBL7953609

SCHEMBL7953609

COC(=O)c1c(C)c(-c2cccnc2)n2c1CSC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
GFER P55789 2/20 0.53
USP2 O75604 2/20 0.41
ALDH1A1 P00352 2/20 0.40
SLC2A1 P11166 1/20 0.40
PSMD14 O00487 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CISD2 Q8N5K1 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 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
SCHEMBL7951763 0.87 MEN1 (0.48) MEN1KMT2AGFERALDH1A1MAPT
SCHEMBL10743662 0.86 LMNA (0.42) MEN1KMT2AGFERCYP11B2
SCHEMBL7585895 0.80 KMT2A (0.56) MEN1KMT2AUSP2ALDH1A1SLC2A1
SCHEMBL7946516 0.79 NPC1 (0.36) MEN1KMT2AGFERALDH1A1NPC1
SCHEMBL7953590 0.75 CYP11B2 (0.44) ALDH1A1MAPTSMN1; SMN2HSD17B10CYP11B1
SCHEMBL10736745 0.75 KMT2A (0.44) MEN1KMT2AGFERCYP11B2RXFP1
SCHEMBL7963752 0.75 SLC2A1 (0.39) MEN1KMT2AUSP2ALDH1A1SLC2A1
SCHEMBL7957240 0.73 MKNK1 (0.39) MEN1KMT2AGFERALDH1A1HSD17B10
SCHEMBL7964717 0.73 ALDH1A1 (0.40) MEN1KMT2AUSP2ALDH1A1SLC2A1
SCHEMBL7586850 0.71 MAPT (0.52) MEN1KMT2AUSP2ALDH1A1SLC2A1

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-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed