SCHEMBL7416396

SCHEMBL7416396

O=C(CO)CCCc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.47
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
FFAR1 O14842 1/20 0.42
GRM5 P41594 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL6571641 0.92 HRH1 (0.50) HRH1HDAC2HDAC8HDAC6HDAC3
SCHEMBL7425058 0.90 FFAR1 (0.47) HDAC2HDAC8HDAC6SMN1; SMN2LOXL2
SCHEMBL19176912 0.85 HRH1 (0.44) HRH1HDAC2HDAC8HDAC6HDAC3
SCHEMBL8462518 0.83 IAPP (0.44) HRH1HDAC2HDAC8HDAC6HDAC3
SCHEMBL1624984 0.82 HDAC3 (0.67) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL1286084 0.82 HRH1 (0.53) HRH1HDAC2HDAC8HDAC6HDAC3
SCHEMBL17447470 0.80 ALDH1A1 (0.48) HRH1HDAC2HDAC8HDAC6HDAC3
SCHEMBL9706340 0.80 HRH1 (0.47) HRH1HDAC2HDAC8HDAC6HDAC3
Hydrochloric Acid SCHEMBL6644828 0.80 HDAC3 (0.64) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL27831457 0.79 HDAC1 (0.69) HDAC2HDAC8HDAC6HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539575-A1 INHIBITION OF METASTASIS IN PATIENTS HAVING CANCER WITH PYRIDYLOXAZOLE-2-ONES. MERRELL DOW PHARMA (US) 1993-05-05 EP disclosed
WO-1992020337-A2 INHIBITION OF METASTASIS IN PATIENTS HAVING CANCER WITH PYRIDYLOXAZOLE-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1992-11-26 WO disclosed
EP-0222358-B1 CARDIOTONIC HETEROCYCLIC OXAZOLONES MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-17 EP disclosed
EP-0222358-A1 Cardiotonic heterocyclic oxazolones MERRELL DOW PHARMACEUTICALS INC. (US) 1987-05-20 EP disclosed