SCHEMBL7995308

SCHEMBL7995308

CCCCNc1ccc(-c2nc(C(=O)NC3=NCCS3)c(-c3ccc(OC)cc3)[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
RAB9A P51151 5/20 0.48
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.44
TSHR P16473 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 5/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 4/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MGLL Q99685 1/20 0.40
ALOX12 P18054 1/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7990066 0.91 NPC1 (0.47) NPC1RAB9AKMT2AGAATSHR
SCHEMBL7977681 0.87 RAB9A (0.54) NPC1RAB9AKMT2AGAATSHR
SCHEMBL7989176 0.84 NPC1 (0.55) NPC1RAB9AKMT2AGAATSHR
SCHEMBL7991736 0.83 RAB9A (0.54) NPC1RAB9AKMT2AGAATSHR
SCHEMBL7977378 0.81 RAB9A (0.52) NPC1RAB9AKMT2AGAATSHR
SCHEMBL7991845 0.81 SMN1; SMN2 (0.44) NPC1RAB9AKMT2AGAASMN1; SMN2
SCHEMBL7989590 0.81 MAPT (0.53) NPC1RAB9AKMT2AGAATSHR
Hydrochloric Acid SCHEMBL7977698 0.80 MAPT (0.53) NPC1RAB9AKMT2AGAATSHR
SCHEMBL7991835 0.80 RAB9A (0.50) NPC1RAB9AKMT2AGAATSHR
SCHEMBL7978151 0.79 RAB9A (0.51) 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