SCHEMBL14528

SCHEMBL14528

C/C=C(\OC)C(C(=O)c1ccc(Br)cc1)/C(C)=N/C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.36
RAB9A P51151 6/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 4/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPC1 O15118 4/20 0.36
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RECQL P46063 1/20 0.35
CYP1A2 P05177 3/20 0.34
MAOA P21397 2/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
CASP3 P42574 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL3044469 0.84 MAPT (0.39) MAPTRAB9AKMT2AMEN1LMNA
SCHEMBL3044470 0.84 MAPT (0.39) MAPTRAB9AKMT2AMEN1LMNA
SCHEMBL3710894 0.72 SIRT1 (0.39) MAPTRAB9AKMT2AMEN1LMNA
SCHEMBL3710891 0.72 SIRT1 (0.39) MAPTRAB9AKMT2AMEN1LMNA
SCHEMBL1738 0.71 MAPT (0.43) MAPTRAB9AKMT2AMEN1LMNA
SCHEMBL16502242 0.69 KMT2A (0.45) MAPTKMT2ALMNAALDH1A1L3MBTL1
SCHEMBL3711787 0.69 NPC1 (0.43) MAPTRAB9AKMT2AMEN1LMNA
SCHEMBL3711785 0.69 NPC1 (0.43) MAPTRAB9AKMT2AMEN1LMNA
SCHEMBL13828453 0.68 SMN1; SMN2 (0.45) MAPTRAB9AKMT2ALMNAMAPK1
SCHEMBL29907949 0.68 ELANE (0.44) MAPTRAB9AKMT2AMEN1LMNA

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
WO-2012138797-A1 3- OR 5 - BI PHENYL - 4 - YLISOXAZOLE - BASED COMPOUNDS USEFUL FOR THE TREATMENT OF FIBROSIS, PAIN, CANCER AND RESPIRATORY, ALLERGIC, NERVOUS SYSTEM OR CARDIOVASCULAR DISORDERS AMIRA PHARMACEUTICALS, INC. (US) 2012-10-11 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed