SCHEMBL8433632

SCHEMBL8433632

CC(Cc1noc(C=Cc2ccc(C(F)(F)F)cc2)n1)C(N)CO

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 13/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS1 P23219 1/20 0.34
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
S1PR1 P21453 1/20 0.33
NQO2 P16083 1/20 0.33

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 SCHEMBL8438269 0.99 ERBB2 (0.36) ERBB2NPC1GLARAB9AL3MBTL1
SCHEMBL8437448 0.85 RAB9A (0.46) NPC1GLARAB9AL3MBTL1
SCHEMBL8434221 0.75 NOS3 (0.43)
SCHEMBL8434579 0.74 HDAC4 (0.39)
Hydrochloric Acid SCHEMBL8438947 0.73 HDAC4 (0.38)
SCHEMBL8433630 0.72 TRPV1 (0.36) ERBB2PTGS1NQO2
Hydrochloric Acid SCHEMBL8438272 0.71 TRPV1 (0.36) ERBB2PTGS1NQO2
Hydrochloric Acid SCHEMBL8438263 0.71 TRPV1 (0.36) ERBB2PTGS1NQO2
Hydrochloric Acid SCHEMBL8435748 0.69 HTR2A (0.46) NPC1RAB9AL3MBTL1
SCHEMBL8435799 0.67 HDAC4 (0.31)

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