SCHEMBL28015796

SCHEMBL28015796

COc1cccc(NC(=O)c2c(N)cccc2Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.58
▸ MEN1 O00255 7/20 0.58
▸ MAPT P10636 5/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ LMNA P02545 2/20 0.58
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 4/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ FFAR1 O14842 1/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ HPGD P15428 1/20 0.49
▸ CSNK2A2 P19784 1/20 0.49
▸ CSNK2B P67870 1/20 0.49
▸ CSNK2A1 P68400 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ GAA P10253 1/20 0.48

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
SCHEMBL28819206 0.89 ALDH1A1 (0.52) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL17103626 0.84 MEN1 (0.56) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL26758017 0.81 ALDH1A1 (0.67) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL1986154 0.80 KMT2A (0.74) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL4118579 0.76 KMT2A (0.72) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL13265784 0.75 FFAR1 (0.55) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL27592746 0.75 RAB9A (0.61) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL3638667 0.75 JAK2 (0.64) KMT2AMEN1MAPTSMN1; SMN2HPGD
SCHEMBL4254145 0.74 MEN1 (0.80) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL3737969 0.74 MEN1 (0.73) KMT2AMEN1MAPTALDH1A1LMNA

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
CN-103183625-B Anti-HIV compound and preparation method and application thereof UNIV SICHUAN 2015-07-08 — — CN disclosed
Send feedback