SCHEMBL8716299

SCHEMBL8716299

CC(O)N(C)c1nc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 3/20 0.54
ALOX15 P16050 2/20 0.54
TSHR P16473 2/20 0.54
TP53 P04637 1/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
ALOX5 P09917 1/20 0.48
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 2/20 0.44

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
SCHEMBL25474647 0.86 RAB9A (0.53) RAB9ANPC1SMN1; SMN2LMNAALOX15
SCHEMBL13763546 0.79 NPC1 (0.59) RAB9ANPC1SMN1; SMN2LMNAALOX15
SCHEMBL3887904 0.78 RAB9A (0.58) RAB9ANPC1SMN1; SMN2LMNAALOX15
SCHEMBL10566613 0.77 NPC1 (0.58) RAB9ANPC1SMN1; SMN2LMNAALOX15
Hydrochloric Acid SCHEMBL28519023 0.77 RAB9A (0.57) RAB9ANPC1SMN1; SMN2LMNAALOX15
SCHEMBL5820208 0.75 NPC1 (0.52) RAB9ANPC1SMN1; SMN2LMNAALOX15
SCHEMBL30442434 0.75 RAB9A (0.55) RAB9ANPC1SMN1; SMN2LMNAALOX15
SCHEMBL10603259 0.75 RAB9A (0.55) RAB9ANPC1SMN1; SMN2LMNAALOX15
SCHEMBL20043130 0.75 LOXL2 (0.49) RAB9ANPC1SMN1; SMN2LMNAALOX15
SCHEMBL6593724 0.75 NPC1 (0.55) RAB9ANPC1SMN1; SMN2LMNAALOX15

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-5756525-A USING A THIAZOLIDINEDIONE COMPOUND BEECHAM GROUP PLC (GB) 1998-05-26 US disclosed