SCHEMBL7018840

SCHEMBL7018840

[CH2]CNc1ccc([N+](=O)[O-])c(OC)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.42
MAPT P10636 1/20 0.40
TXNRD1 Q16881 13/20 0.40
GSR P00390 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5553628 0.83 SYK (0.43) MERTKMAPTTXNRD1KMT2A
SCHEMBL19172520 0.83 LMNA (0.51) MERTKMAPTALDH1A1RAB9AKMT2A
SCHEMBL25289487 0.80 MERTK (0.44) MERTKMAPTTXNRD1GSRALDH1A1
SCHEMBL25637893 0.78 BRD4 (0.47) MERTKMAPTTXNRD1ALDH1A1HTT
SCHEMBL4400500 0.77 GSK3B (0.39) MAPTALDH1A1TDP1
SCHEMBL25637792 0.75 CYP1A2 (0.49) MAPTALDH1A1HTTNPC1RAB9A
SCHEMBL27199647 0.74 TXNRD1 (0.41) MERTKMAPTTXNRD1GSRALDH1A1
SCHEMBL10740434 0.73 TXNRD1 (0.58) MAPTTXNRD1GSRHTTRAB9A
SCHEMBL29983153 0.73 MERTK (0.49) MERTKMAPTTXNRD1ALDH1A1HTT
SCHEMBL15514986 0.73 MERTK (0.49) MERTKMAPTTXNRD1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO disclosed