SCHEMBL3434368

SCHEMBL3434368

CCCc1nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n(CCOC)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.48
PTGER4 P35408 1/20 0.41
AAK1 Q2M2I8 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TAF1 P21675 1/20 0.39
BRD2 P25440 1/20 0.39
BRPF1 P55201 1/20 0.39
EP300 Q09472 1/20 0.39
BRD3 Q15059 1/20 0.39
BRDT Q58F21 1/20 0.39
CREBBP Q92793 1/20 0.39
CECR2 Q9BXF3 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
SCHEMBL3432621 0.84 BRD4 (0.50) BRD4PTGER4AAK1ALDH1A1KDM4E
SCHEMBL3474602 0.83 BRD4 (0.49) BRD4PTGER4AAK1ALDH1A1KDM4E
SCHEMBL3474853 0.79 PDE4A (0.43) ALDH1A1KDM4EHPGDPDE4APDE4B
SCHEMBL3377379 0.76 BRD4 (0.48) BRD4PTGER4AAK1ALDH1A1KDM4E
SCHEMBL3476109 0.75 BRD4 (0.47) BRD4AAK1ALDH1A1KDM4EHPGD
SCHEMBL3377915 0.74 CYP1A2 (0.45) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL3380246 0.74 HDAC6 (0.56) ALDH1A1KDM4EHPGDPOLBCYP2C9
SCHEMBL3380300 0.72 KDM4E (0.46) ALDH1A1KDM4EHPGDPDE4DPOLB
SCHEMBL3435619 0.72 TDP2 (0.40) BRD4AAK1SMN1; SMN2CYP3A4
SCHEMBL3434978 0.72 AAK1 (0.42) BRD4AAK1TAF1BRD2BRPF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 WO claimed