SCHEMBL7855802

SCHEMBL7855802

Cc1ccc(-c2nc([CH]CNc3ccc([N+](=O)[O-])cn3)ncc2-c2cnc[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 6/20 0.36
NPC1 O15118 4/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL7022814 0.89 MAPT (0.39) MAPTSMN1; SMN2POLBRAB9ANPC1
SCHEMBL7256594 0.84 GSK3B (0.50) MAPTSMN1; SMN2POLBRAB9ANPC1
SCHEMBL7022502 0.84 MEN1 (0.43) MAPTSMN1; SMN2POLBRAB9ANPC1
SCHEMBL4970607 0.82 GSK3B (0.55) MAPTSMN1; SMN2POLBRAB9ANPC1
SCHEMBL7852739 0.82 GSK3B (0.38) MAPTSMN1; SMN2POLBRAB9ANPC1
SCHEMBL7850973 0.82 GSK3B (0.40) MAPTSMN1; SMN2POLBRAB9ANPC1
SCHEMBL7853884 0.79 SMN1; SMN2 (0.35) MAPTSMN1; SMN2POLBRAB9ANPC1
SCHEMBL7022685 0.79 HTR7 (0.42) MAPTSMN1; SMN2POLBALDH1A1GSK3B
SCHEMBL7853388 0.76 GSK3B (0.49) MAPTSMN1; SMN2POLBRAB9ANPC1
SCHEMBL7255038 0.76 GSK3B (0.49) MAPTSMN1; SMN2POLBRAB9ANPC1

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-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