SCHEMBL8433423

SCHEMBL8433423

CC(Cc1noc(Cc2ccccc2)n1)C(N)CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
S1PR1 P21453 1/20 0.40
L3MBTL1 Q9Y468 6/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 6/20 0.39
TRPA1 O75762 1/20 0.39
CHUK O15111 1/20 0.36
TXNRD1 Q16881 1/20 0.36
NOX4 Q9NPH5 1/20 0.36
CYP2D6 P10635 1/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.36

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 SCHEMBL8434788 0.99 TDP1 (0.44) TDP1MAPK1TSHRS1PR1L3MBTL1
SCHEMBL8435676 0.86 L3MBTL1 (0.45) TDP1MAPK1L3MBTL1NPC1RAB9A
Hydrochloric Acid SCHEMBL8495699 0.86 RAB9A (0.43) TDP1MAPK1TSHRL3MBTL1NPC1
Hydrochloric Acid SCHEMBL8435795 0.85 L3MBTL1 (0.44) TDP1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL8438546 0.85 SMN1; SMN2 (0.47) TDP1MAPK1TSHRL3MBTL1NPC1
Hydrochloric Acid SCHEMBL8437558 0.84 SMN1; SMN2 (0.46) TDP1MAPK1TSHRL3MBTL1NPC1
SCHEMBL8432986 0.84 TAAR1 (0.46) TDP1MAPK1TSHRL3MBTL1NPC1
Hydrochloric Acid SCHEMBL8435756 0.83 TAAR1 (0.45) TDP1MAPK1TSHRL3MBTL1NPC1
SCHEMBL8433690 0.83 PTGS1 (0.31) TDP1MAPK1TSHR
Hydrochloric Acid SCHEMBL8435748 0.82 HTR2A (0.46) TDP1L3MBTL1NPC1RAB9ASMN1; SMN2

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