SCHEMBL8734006

SCHEMBL8734006

CCn1cc(C#N)c(=O)c2cc(F)c(F)c(OC(F)F)c21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.37
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PMP22 Q01453 1/20 0.32
PFKFB2 O60825 1/20 0.31
PFKFB1 P16118 1/20 0.31
PFKFB3 Q16875 1/20 0.31
P2RX7 Q99572 2/20 0.30
PIM1 P11309 1/20 0.30

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
SCHEMBL8735573 0.80 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8735563 0.80 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8733567 0.68 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8733989 0.67 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL14208163 0.67 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5164189 0.67 STAT3 (0.32) STAT3
SCHEMBL8735576 0.66 PIM1 (0.38) PIM1
SCHEMBL8731834 0.66 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8503513 0.66 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL3869157 0.65 KDM4E (0.42) STAT3KDM4EALDH1A1HPGDHSD17B10

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-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 EP disclosed
US-5688791-A COMPOUNDS FOR TREATMENNT OF VIRAL DISEASES SUCH AS AIDS UBE INDUSTRIES, LTD. (JP) 1997-11-18 US disclosed
US-5519016-A Aryl group- or aromatic heterocyclic group-substituted aminoquinolone derivatives and anti-HIV agent UBE INDUSTRIES, LTD. (JP) 1996-05-21 US disclosed
EP-0572259-A1 Aminoquinolone derivatives as anti-HIV agents UBE INDUSTRIES, LTD. (JP) 1993-12-01 EP disclosed