SCHEMBL11706394

SCHEMBL11706394

Cc1c(C(=O)c2cccs2)cccc1C(C)C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
ALOX15 P16050 2/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PSMD14 O00487 1/20 0.43
MMP2 P08253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
HPGD P15428 5/20 0.40
CYP2C9 P11712 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ADORA1 P30542 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39

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
SCHEMBL11490665 0.88 LMNA (0.53) LMNAALOX15ALDH1A1MAPTMEN1
SCHEMBL13243338 0.85 ALOX15 (0.51) LMNAALOX15ALDH1A1MAPTMEN1
SCHEMBL11703589 0.83 ALOX15 (0.50) LMNAALOX15ALDH1A1MAPTMEN1
SCHEMBL11705521 0.82 HPGD (0.56) LMNAALOX15ALDH1A1MAPTMEN1
SCHEMBL11702544 0.82 ALOX15 (0.49) LMNAALOX15ALDH1A1MAPTMEN1
SCHEMBL11705531 0.82 HPGD (0.56) LMNAALOX15ALDH1A1MAPTMEN1
SCHEMBL256810 0.75 ALOX15 (0.57) LMNAALOX15ALDH1A1MAPTMEN1
SCHEMBL10136508 0.75 LMNA (0.62) LMNAALOX15ALDH1A1MAPTMEN1
SCHEMBL11704482 0.74 ALOX15 (0.56) LMNAALOX15ALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL10588359 0.74 LMNA (0.60) LMNAALOX15ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4064132-A ANTIINFLAMMATORY AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1977-12-20 US disclosed
US-4060528-A ANTIINFLAMMATORY JANSSEN PHARMACEUTICA N.V. (BE) 1977-11-29 US disclosed
US-4035376-A ESTERS, AMIDES, HYDROXAMIC ACIDS, ANTIINFLAMMATORY JANSSEN PHARMACEUTICA N.V. (BE) 1977-07-12 US disclosed