SCHEMBL7989176

SCHEMBL7989176

COc1ccc(-c2[nH]c(-c3ccc(N)cc3)nc2C(=O)NC2=NCCS2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.55
RAB9A P51151 8/20 0.55
KMT2A Q03164 7/20 0.48
GAA P10253 2/20 0.47
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 8/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MEN1 O00255 5/20 0.42
MAPT P10636 4/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.41
PARP1 P09874 1/20 0.40

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
SCHEMBL7978151 0.90 RAB9A (0.51) NPC1RAB9AKMT2AGAATSHR
SCHEMBL7991736 0.90 RAB9A (0.54) NPC1RAB9AKMT2AGAATSHR
SCHEMBL7977681 0.90 RAB9A (0.54) NPC1RAB9AKMT2AGAATSHR
SCHEMBL7977378 0.87 RAB9A (0.52) NPC1RAB9AKMT2AGAATSHR
SCHEMBL7992115 0.84 RAB9A (0.51) NPC1RAB9AKMT2AGAATSHR
SCHEMBL7995308 0.84 NPC1 (0.48) NPC1RAB9AKMT2AGAATSHR
SCHEMBL7991835 0.84 RAB9A (0.50) NPC1RAB9AKMT2AGAATSHR
SCHEMBL7978046 0.82 RAB9A (0.48) NPC1RAB9AKMT2AGAATSHR
SCHEMBL7990066 0.79 NPC1 (0.47) NPC1RAB9AKMT2AGAATSHR
SCHEMBL7977759 0.78 MEN1 (0.57) NPC1RAB9AKMT2AGAATSHR

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed