SCHEMBL9038841

SCHEMBL9038841

CC(C)(C)NCCc1cccc(NC(=N)c2cccs2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 3/20 0.40
ACKR3 P25106 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
TRPA1 O75762 1/20 0.38
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KCNK3 O14649 2/20 0.36
KCNK9 Q9NPC2 2/20 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
Bromide SCHEMBL6961612 0.99 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL6964955 0.87 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL9037824 0.86 ACKR3 (0.43) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL9036770 0.86 NPC1 (0.41) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL15499632 0.86 MAPT (0.48) SMN1; SMN2NPC1RAB9AHTTMAPT
Bromide SCHEMBL6962429 0.86 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AHTTMAPT
Hydrochloric Acid SCHEMBL9219017 0.86 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AHTTMAPT
Hydrochloric Acid SCHEMBL9221358 0.85 NPC1 (0.41) SMN1; SMN2NPC1RAB9AMAPTKMT2A
Bromide SCHEMBL6967194 0.85 ACKR3 (0.43) SMN1; SMN2NPC1RAB9AHTTMAPT
Bromide SCHEMBL6968089 0.85 NPC1 (0.41) SMN1; SMN2NPC1RAB9AMAPTKMT2A

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-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP claimed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO claimed