SCHEMBL8087299

SCHEMBL8087299

CC[C@@H]1COC(c2ccc(-c3ccsc3Br)cc2)=N1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.36
NOS3 P29474 2/20 0.34
NOS2 P35228 2/20 0.34
NOS1 P29475 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8087302 1.00 NPC1 (0.44) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL6576126 0.81 NPC1 (0.51) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL16487742 0.81 NPC1 (0.43) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL16487743 0.74 NPC1 (0.39) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL13980023 0.74 NPC1 (0.55) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL10358866 0.74 NPC1 (0.55) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL7691543 0.74 NPC1 (0.55) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL10519979 0.71 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL6578393 0.69 NPC1 (0.57) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL14352056 0.69 NPC1 (0.57) NPC1RAB9ASMN1; SMN2POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957181-B2 Preparation process for cyclic conjugated polymer and polymerization catalyst for cyclic conjugated polymer SOKEN CHEMICAL & ENGINEERING CO., LTD. (JP) 2015-02-17 US disclosed
US-8957181-B2 Preparation process for cyclic conjugated polymer and polymerization catalyst for cyclic conjugated polymer SOKEN CHEMICAL & ENGINEERING CO., LTD. (JP) 2015-02-17 US disclosed
JP-2000143779-A OPTICALLY ACTIVE POLYTHIOPHENE DERIVATIVE AND MANUFACTURE OF THE SAME JAPAN SCIENCE & TECHNOLOGY CORP 2000-05-26 JP disclosed