SCHEMBL8221326

SCHEMBL8221326

CCCc1nn(C)nc1-c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 1/20 0.43
▸ DCTPP1 Q9H773 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ADORA1 P30542 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38

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
SCHEMBL14294658 0.84 KMT2A (0.44) KMT2AMEN1MAPTDCTPP1ALDH1A1
SCHEMBL8223557 0.81 ESR1 (0.49) KMT2AMAPTALDH1A1KDM4ELMNA
SCHEMBL14271022 0.81 KMT2A (0.42) KMT2AMEN1MAPTDCTPP1ALDH1A1
SCHEMBL8212225 0.80 MAPT (0.42) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL8218208 0.75 KDM4E (0.61) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL3277198 0.73 KDM4E (0.51) KMT2AMEN1GAAKDM4EUSP2
SCHEMBL14298815 0.73 MEN1 (0.45) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL8221922 0.69 GABRA1 (0.46) KMT2AMEN1ALDH1A1GAAADORA1
SCHEMBL14790653 0.67 LMNA (0.36) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL8213977 0.67 LMNA (0.51) KMT2AMEN1MAPTALDH1A1GAA

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-2008021871-A2 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 — — WO disclosed
Send feedback