SCHEMBL9324461

SCHEMBL9324461

CCC(C#N)NC(CC)c1ccsc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 2/20 0.34
CXCR2 P25025 2/20 0.34
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL9324275 0.77 GRIA4 (0.35) ALOX5CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL285337 0.74 CCR1 (0.39) ALOX5MAPTSMN1; SMN2HIF1ACYP3A4
SCHEMBL7508407 0.73
SCHEMBL20963155 0.68 ALOX5 (0.36) ALOX5MAPTSMN1; SMN2HIF1A
SCHEMBL12462086 0.68 ALOX5 (0.36) ALOX5MAPTSMN1; SMN2HIF1A
SCHEMBL6494251 0.67
SCHEMBL11198265 0.67 TSHR (0.32)
SCHEMBL18878202 0.67 ALOX5 (0.38) ALOX5MAPTSMN1; SMN2HIF1ACYP3A4
SCHEMBL12464829 0.67 ALOX5 (0.39) CXCR1CXCR2ALOX5CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7744173 0.66 IDO1 (0.42) ALOX5MAPTSMN1; SMN2HIF1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5310941-A Antiarrythmia agents ORTHO PHARMACEUTICAL CORPORATION (US) 1994-05-10 US disclosed
US-5208252-A Antiarrhythmia ORTHO PHARMACEUTICAL CORPORATION (US) 1993-05-04 US disclosed