SCHEMBL8437448

SCHEMBL8437448

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALOX5 P09917 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASP3 P42574 5/20 0.40
SENP7 Q9BQF6 5/20 0.40
SENP8 Q96LD8 4/20 0.40
SENP6 Q9GZR1 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR2A P28223 3/20 0.35

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 SCHEMBL8434949 0.85 ALOX5 (0.39) RAB9ANPC1L3MBTL1GLASMN1; SMN2
SCHEMBL8433632 0.85 ERBB2 (0.36) RAB9ANPC1L3MBTL1GLA
Hydrochloric Acid SCHEMBL8438269 0.84 ERBB2 (0.36) RAB9ANPC1L3MBTL1GLA
SCHEMBL8433805 0.77 NOTUM (0.57) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
Hydrochloric Acid SCHEMBL8437873 0.76 NOTUM (0.56) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL8433423 0.75 TDP1 (0.45) RAB9ANPC1L3MBTL1GLASMN1; SMN2
Hydrochloric Acid SCHEMBL8434788 0.74 TDP1 (0.44) RAB9ANPC1L3MBTL1GLASMN1; SMN2
SCHEMBL8435676 0.72 L3MBTL1 (0.45) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1
SCHEMBL12433301 0.71 RAB9A (0.57) RAB9ANPC1L3MBTL1GLASMN1; SMN2
SCHEMBL3702836 0.71 RAB9A (0.57) RAB9ANPC1L3MBTL1GLASMN1; 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