SCHEMBL16601547

SCHEMBL16601547

CC(C)(C)NCCN1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM1A O60341 1/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL23922127 0.82 CACNA1H (0.49) CACNA1HALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11249172 0.79 CARM1 (0.54) ALDH1A1KDM1AMEN1TSHRKMT2A
SCHEMBL14500308 0.78 ALDH1A1 (0.43) ALDH1A1KDM1AMEN1TSHRKMT2A
SCHEMBL7745202 0.77 CACNA1H (0.45) CACNA1HALDH1A1KDM1ATSHRKDM4E
SCHEMBL4569276 0.76 KDM1A (0.42) ALDH1A1KDM1ATSHRKMT2AKDM4E
SCHEMBL12607000 0.75 MEN1 (0.44) ALDH1A1KDM1AMEN1TSHRKMT2A
SCHEMBL4054338 0.75 ALDH1A1 (0.41) ALDH1A1KDM1AMEN1TSHRKMT2A
SCHEMBL10245377 0.75 CACNA1H (0.44) CACNA1HALDH1A1KDM1AKDM4EMAPT
SCHEMBL26748675 0.75 CACNA1H (0.44) CACNA1HSMN1; SMN2
SCHEMBL10192177 0.74 CARM1 (0.56) CACNA1HALDH1A1MEN1KMT2AKDM4E

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-9637492-B2 Benzothiazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-05-02 US disclosed
US-9637492-B2 Benzothiazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-05-02 US disclosed
US-8993580-B2 Benzothiazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2015-03-31 US disclosed