SCHEMBL8636639

SCHEMBL8636639

CONC(=O)N=c1sc2ccccc2n1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
RAB9A P51151 8/20 0.43
SMN1; SMN2 Q16637 8/20 0.43
NPC1 O15118 7/20 0.43
KMT2A Q03164 6/20 0.43
KDM4E B2RXH2 5/20 0.43
NPSR1 Q6W5P4 4/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MAPT P10636 5/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.40
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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 0.84 RAB9A (0.60) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL8635929 0.83 LMNA (0.44) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL8635422 0.81 NPSR1 (0.58) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL8636648 0.80 ALDH1A1 (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL8633551 0.79 CNR1 (0.55) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL8640650 0.79 ALDH1A1 (0.40) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL8635747 0.79 CNR1 (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL8635125 0.79 ALDH1A1 (0.41) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL8635413 0.78 HPGD (0.49) ALDH1A1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL8634997 0.78 KDM4E (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A

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