SCHEMBL8438546

SCHEMBL8438546

COc1ccc(Cc2nc(CC(C)C(N)CO)no2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
ALOX15 P16050 1/20 0.46
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC6A4 P31645 1/20 0.40
TPH1 P17752 2/20 0.39
PRSS1 P07477 1/20 0.37

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
Hydrochloric Acid SCHEMBL8437558 0.99 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL8432986 0.87 TAAR1 (0.46) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
Hydrochloric Acid SCHEMBL8435756 0.86 TAAR1 (0.45) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL8433423 0.85 TDP1 (0.45) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
Hydrochloric Acid SCHEMBL8434788 0.84 TDP1 (0.44) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL8438754 0.80 TSHR (0.49) NPC1TDP1L3MBTL1MAPTKDM4E
SCHEMBL8433690 0.79 PTGS1 (0.31) TDP1TSHRMAPK1
Hydrochloric Acid SCHEMBL8437496 0.79 TSHR (0.48) NPC1TDP1L3MBTL1MAPTKDM4E
Hydrochloric Acid SCHEMBL8435684 0.78 PTGS1 (0.30)
Hydrochloric Acid SCHEMBL8495699 0.77 RAB9A (0.43) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1

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-5874585-A TREATMENT AND/OR PREVENTION OF ELASTASE-MEDIATED PROBLEMS SUCH AS ARTHRITIS, PERIODONTAL DISEASE, GLOMERULONEPHRITIS, DERMATITIS, PSORIASIS, CYSTIC FIBROSIS, CHRONIC BRONCHITIS, ALZHEIMER'S DISEASE CORTECH, INC. (US) 1999-02-23 US disclosed