SCHEMBL16498268

SCHEMBL16498268

CCOC(=O)c1cc2nn(-c3ccccc3)c(C3=CCCCC3)c2cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ GABRP O00591 4/20 0.39
▸ GABRD O14764 4/20 0.39
▸ GABRA1 P14867 4/20 0.39
▸ GABRB1 P18505 4/20 0.39
▸ GABRG2 P18507 4/20 0.39
▸ GABRB3 P28472 4/20 0.39
▸ GABRA5 P31644 4/20 0.39
▸ GABRA3 P34903 4/20 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
SCHEMBL16498270 0.83 ALDH1A1 (0.55) KMT2AGAAALDH1A1CYP3A4CYP2C9
SCHEMBL16512392 0.81 ADORA1 (0.43) KMT2AALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL16498369 0.76 KMT2A (0.49) KMT2AGAAALDH1A1MEN1MAPT
SCHEMBL16512632 0.74 TDP1 (0.36) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL16498279 0.74 CHEK1 (0.44) GAAMAPTHSD17B10NPC1POLB
SCHEMBL16498355 0.72 CFTR (0.37) KMT2AGAAALDH1A1CYP3A4CYP2C9
SCHEMBL16512390 0.70 PTGER1 (0.40) KMT2AALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL28364880 0.68 JAK2 (0.41) ALDH1A1CYP2C9CYP2C19MAPTKDM4E
SCHEMBL16512866 0.68 PTGER1 (0.46) ALDH1A1CYP2C9CYP2C19LMNASMN1; SMN2
SCHEMBL16512871 0.68 ELANE (0.38) GAAALDH1A1MAPTKDM4EHPGD

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
WO-2011153588-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-12-15 — — WO disclosed
WO-2011153588-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-12-15 — — WO disclosed
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