SCHEMBL7414967

SCHEMBL7414967

COC(=O)CCn1c(=O)nc(C(F)(F)F)c2cc(OC)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.47
MAPT P10636 4/20 0.46
P2RX3 P56373 1/20 0.43
AKR1C3 P42330 1/20 0.42
PGR P06401 2/20 0.40
RORA P35398 1/20 0.40
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
HSD17B10 Q99714 2/20 0.39
ACHE P22303 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAOA P21397 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
SCHEMBL7409652 0.91 DYRK1A (0.54) DYRK1AMAPTP2RX3ALDH1A1KDM4E
SCHEMBL7408633 0.84 DYRK1A (0.55) DYRK1AMAPTP2RX3HSD17B10MEN1
SCHEMBL7414015 0.78 P2RX3 (0.37) DYRK1AMAPTP2RX3ALDH1A1KDM4E
SCHEMBL7412859 0.77 DYRK1A (0.64) DYRK1AMAPTP2RX3ALDH1A1KDM4E
SCHEMBL7405772 0.76 DYRK1A (0.51) DYRK1AMAPTP2RX3HSD17B10ALDH1A1
SCHEMBL14347328 0.74 CTNNB1 (0.52) P2RX3MEN1ALDH1A1KMT2AKDM4E
SCHEMBL7407798 0.74 WEE1 (0.47) MAPTP2RX3RORARORCRORB
SCHEMBL7414631 0.74 DYRK1A (0.54) DYRK1AP2RX3MTNR1AMTNR1B
SCHEMBL10745759 0.73 CASP3 (0.58) DYRK1AMAPTP2RX3HSD17B10ALDH1A1
SCHEMBL13178171 0.72 CCR2 (0.49) MAPTP2RX3MEN1ALDH1A1KMT2A

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-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