SCHEMBL9800508

SCHEMBL9800508

COC(=O)c1nnc(SC)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
NTSR1 P30989 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
CES1 P23141 1/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL9332597 0.80 LMNA (0.53) ALDH1A1RAB9ANPC1MAPTTSHR
SCHEMBL8339801 0.78 PTGS1 (0.42) ALDH1A1RAB9ANPC1NTSR1CA1
SCHEMBL30314733 0.77 CA1 (0.40) ALDH1A1RAB9ANPC1NTSR1CA1
SCHEMBL3207215 0.76 CA1 (0.42) ALDH1A1RAB9ANPC1NTSR1CA1
SCHEMBL18352875 0.75 CES1 (0.42) ALDH1A1CA1CA2CES1MAPT
SCHEMBL7453197 0.74 SMN1; SMN2 (0.43) ALDH1A1RAB9ANPC1CES1MAPT
SCHEMBL368639 0.72 HSD17B10 (0.50) ALDH1A1RAB9ANPC1CES1MAPT
SCHEMBL27264408 0.72 TSHR (0.42) ALDH1A1RAB9ANPC1CES1MAPT
SCHEMBL25144949 0.71 ALDH1A1 (0.40) ALDH1A1RAB9ANPC1CA1CA2
SCHEMBL21448950 0.69 RAF1 (0.45) ALDH1A1RAB9ANPC1CA1CA2

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
EP-0224175-B1 AZO DYES BAYER AG (DE) 1991-02-06 EP disclosed