SCHEMBL18079706

SCHEMBL18079706

Clc1ccccc1CSc1ccc(-c2cccnc2)nn1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.68
MAPT P10636 7/20 0.68
NPC1 O15118 5/20 0.68
RAB9A P51151 5/20 0.68
GAA P10253 3/20 0.68
KMT2A Q03164 7/20 0.67
MEN1 O00255 3/20 0.67
RXFP1 Q9HBX9 1/20 0.53
PKM P14618 2/20 0.53
POLB P06746 2/20 0.53
KDM4E B2RXH2 3/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL18079704 0.85 SMN1; SMN2 (0.55) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL16155536 0.85 SMN1; SMN2 (0.68) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL18079702 0.77 SLC1A2 (0.71) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL6403236 0.70 MAPK1 (0.62) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL4215001 0.70 ALDH1A1 (0.71) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL18079705 0.70 SLC1A2 (0.68) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL18080851 0.69 SLC1A2 (0.67) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL6402415 0.69 ALDH1A1 (0.74) SMN1; SMN2MAPTNPC1RAB9APKM
SCHEMBL16155539 0.69 RAB9A (0.45) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL1743044 0.69 CYP2A6 (0.56) SMN1; SMN2MAPTNPC1RAB9AGAA

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