SCHEMBL8136643

SCHEMBL8136643

C=CCN(C(=O)c1c(O)c2c(C=S)cccc2n(C)c1=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
PGR P06401 1/20 0.44
POLB P06746 3/20 0.43
ALDH1A1 P00352 3/20 0.39
HDAC4 P56524 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
MAP3K5 Q99683 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.33
PABPC1 P11940 1/20 0.33

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
SCHEMBL7860231 0.89 MEN1 (0.47) MEN1KMT2APGRPOLBALDH1A1
SCHEMBL7722435 0.87 MEN1 (0.45) MEN1KMT2APGRPOLBALDH1A1
SCHEMBL7597845 0.86 MEN1 (0.46) MEN1KMT2APGRPOLBALDH1A1
SCHEMBL7597091 0.84 HDAC4 (0.55) MEN1KMT2APGRPOLBALDH1A1
SCHEMBL7615154 0.84 MEN1 (0.44) MEN1KMT2APGRPOLBALDH1A1
SCHEMBL8136645 0.84 MEN1 (0.44) MEN1KMT2APGRPOLBALDH1A1
SCHEMBL7862440 0.83 KMT2A (0.64) MEN1KMT2APGRPOLBALDH1A1
SCHEMBL10671563 0.82 KMT2A (0.65) MEN1KMT2APGRPOLBALDH1A1
SCHEMBL8145213 0.79 KDM4E (0.47) MEN1KMT2APGRPOLBALDH1A1
SCHEMBL8146108 0.78 ALDH1A1 (0.43) MEN1KMT2APGRPOLBALDH1A1

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-6121287-A Quinoline derivatives ACTIVE BIOTECH AB (SE) 2000-09-19 US disclosed