SCHEMBL8640650

SCHEMBL8640650

CC#Cn1c(=NC(=O)NOC)sc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.40
RAB9A P51151 8/20 0.40
SMN1; SMN2 Q16637 8/20 0.40
NPC1 O15118 7/20 0.40
KDM4E B2RXH2 7/20 0.40
KMT2A Q03164 6/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 3/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MAPT P10636 6/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
PKM P14618 1/20 0.38
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 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
SCHEMBL8635367 0.81 RAB9A (0.60) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8636648 0.79 ALDH1A1 (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8636639 0.79 ALDH1A1 (0.43) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8635422 0.78 NPSR1 (0.58) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8635413 0.77 HPGD (0.49) ALDH1A1RAB9ASMN1; SMN2KDM4EKMT2A
SCHEMBL8635747 0.76 CNR1 (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8635929 0.75 LMNA (0.44) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8634997 0.75 KDM4E (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8637025 0.74 NPSR1 (0.47) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8638139 0.74 KDM4E (0.50) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E

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-0568096-B1 Benzothiazole derivative and agricultural and horticultural fingicide composition containing the same HODOGAYA CHEMICAL CO LTD (JP) 1998-07-29 EP claimed
EP-0568096-A1 Benzothiazole derivative and agricultural and horticultural fingicide composition containing the same HODOGAYA CHEMICAL CO., LTD. (JP) 1993-11-03 EP claimed