SCHEMBL18079703

SCHEMBL18079703

c1ccc(CSc2ccc(-c3ccccn3)nn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 1.00
NPC1 O15118 10/20 1.00
SMN1; SMN2 Q16637 9/20 1.00
HTT P42858 5/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
NFKB1 P19838 1/20 1.00
NFKB2 Q00653 1/20 1.00
RELA Q04206 1/20 1.00
GAA P10253 2/20 0.79
LMNA P02545 2/20 0.79
KDM4E B2RXH2 6/20 0.77
MAPT P10636 4/20 0.73
SLC1A2 P43004 1/20 0.66
TP53 P04637 3/20 0.57
POLB P06746 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HSP90AA1 P07900 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
PKM P14618 1/20 0.56

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
SCHEMBL18079712 0.85 SMN1; SMN2 (0.73) RAB9ANPC1SMN1; SMN2HTTMEN1
SCHEMBL18080850 0.85 RAB9A (0.74) RAB9ANPC1SMN1; SMN2HTTMEN1
SCHEMBL18079721 0.81 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HTTMEN1
SCHEMBL18079701 0.80 SLC1A2 (0.76) RAB9ANPC1SMN1; SMN2HTTMEN1
SCHEMBL14685055 0.80 SLC1A2 (1.00) RAB9ANPC1SMN1; SMN2HTTMEN1
SCHEMBL16155555 0.80 RAB9A (0.66) RAB9ANPC1SMN1; SMN2HTTMEN1
SCHEMBL30674412 0.80 SLC1A2 (1.00) RAB9ANPC1SMN1; SMN2HTTMEN1
SCHEMBL18079709 0.80 RAB9A (0.67) RAB9ANPC1SMN1; SMN2HTTMEN1
SCHEMBL18079702 0.80 SLC1A2 (0.71) RAB9ANPC1SMN1; SMN2HTTMEN1
SCHEMBL13052131 0.78 KDM4E (0.72) RAB9ANPC1SMN1; SMN2HTTMEN1

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
US-9447075-B2 Pyridazine derivatives as EAAT2 activators THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-09-20 US disclosed
US-9447075-B2 Pyridazine derivatives as EAAT2 activators THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-09-20 US disclosed