SCHEMBL11249598

SCHEMBL11249598

CCn1ccc(S)nc1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
KMT2A Q03164 2/20 0.35
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1B1 Q16678 1/20 0.32
GRM2 Q14416 1/20 0.30

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
SCHEMBL2865257 0.78 KMT2A (0.40) MAPTKMT2APIK3CDPIK3CAPIK3CB
SCHEMBL1892698 0.76 FGFR1 (0.44) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL14872357 0.76 MAPT (0.35) MAPTKMT2APIK3CDPIK3CAPIK3CB
SCHEMBL11250319 0.72
SCHEMBL11266569 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL14639242 0.72 MAPT (0.47) MAPTKMT2AALDH1A1KDM4ECYP1B1
SCHEMBL11582604 0.68
SCHEMBL1687064 0.68 SLC6A2 (0.31) KMT2A
SCHEMBL9806949 0.67 MAPT (0.43) MAPTKMT2A
SCHEMBL21392462 0.67 KMT2A (0.52) MAPTKMT2AKDM4EMAPK1

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-4091211-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1978-05-23 US claimed
US-4348518-A Cephalosporins HOFFMANN-LA ROCHE INC. (US) 1982-09-07 US disclosed
US-4091211-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1978-05-23 US disclosed