SCHEMBL3638474

SCHEMBL3638474

CC(C)(C)n1c(C(=O)O)nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ LMNA P02545 4/20 0.41
▸ SLC22A12 Q96S37 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL7155162 0.76 CCR2 (0.51) POLBKMT2AMAPTALDH1A1PKM
SCHEMBL15532179 0.73 KMT2A (0.52) KMT2AMAPTALDH1A1LMNAPKM
SCHEMBL28679353 0.72 MAPT (0.43) KMT2AMAPTALDH1A1LMNAPKM
SCHEMBL21093059 0.70 MAPT (0.57) POLBKMT2AMAPTALDH1A1LMNA
SCHEMBL5122161 0.69 ALDH1A1 (0.40) KMT2AMAPTALDH1A1LMNAPKM
SCHEMBL5122165 0.69 ALDH1A1 (0.40) KMT2AMAPTALDH1A1LMNAPKM
SCHEMBL15534813 0.68 KMT2A (0.60) KMT2AMAPTALDH1A1LMNAPKM
SCHEMBL12732375 0.68 ALDH1A1 (0.56) KMT2AMAPTALDH1A1LMNAPKM
SCHEMBL19911558 0.68 HCAR3 (0.55) KMT2AMAPTALDH1A1LMNAPKM
SCHEMBL29613728 0.68 ALDH1A1 (0.56) KMT2AMAPTALDH1A1LMNAPKM

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
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 — — EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 — — WO disclosed
Send feedback