SCHEMBL7409652

SCHEMBL7409652

COC(=O)CCn1c(=O)nc(C(F)(F)F)c2ccc(OC)cc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.54
HASPIN Q8TF76 1/20 0.43
DYRK2 Q92630 1/20 0.43
P2RX3 P56373 1/20 0.43
KMO O15229 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 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
SCHEMBL7414967 0.91 DYRK1A (0.47) DYRK1AP2RX3MTNR1AMTNR1BMAPT
SCHEMBL7412859 0.84 DYRK1A (0.64) DYRK1AP2RX3KMOMAPTKDM4E
SCHEMBL7408633 0.77 DYRK1A (0.55) DYRK1AP2RX3MAPTKDM4EALDH1A1
SCHEMBL7414015 0.76 P2RX3 (0.37) DYRK1AP2RX3MAPTKDM4EALDH1A1
SCHEMBL7414631 0.76 DYRK1A (0.54) DYRK1AP2RX3KMOMTNR1AMTNR1B
SCHEMBL14347328 0.74 CTNNB1 (0.52) P2RX3KDM4EALDH1A1GAA
SCHEMBL7418131 0.74 KMO (0.41) P2RX3KMOMAPTKDM4EALDH1A1
SCHEMBL7405772 0.74 DYRK1A (0.51) DYRK1AP2RX3KMOMTNR1AMTNR1B
SCHEMBL29071996 0.72 PIK3R1 (0.46) P2RX3MAPT
SCHEMBL23150349 0.70 DYRK1A (1.00) DYRK1AHASPIN

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-4631283-A RENAL VASODILATORS, CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1986-12-23 US disclosed
US-4490374-A CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1984-12-25 US disclosed
EP-0107398-A1 Ortho substituted dihydroxy-2(1H)quinazolinone-1-alkanoic acids ORTHO PHARMACEUTICAL CORPORATION (US) 1984-05-02 EP disclosed