SCHEMBL7992030

SCHEMBL7992030

c1ccc(CNCc2cscn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 5/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
BCHE P06276 2/20 0.43
SLC6A3 Q01959 1/20 0.43
KDM4A O75164 1/20 0.42
KDM4B O94953 1/20 0.42
KDM5C P41229 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
MAOA P21397 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
HDAC1 Q13547 1/20 0.41
CHRM2 P08172 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL6031397 0.85 GAA (0.53) GPR142BCHEHDAC1GAAMAPT
SCHEMBL18157933 0.84 KDM4C (0.42) GPR142MEN1KMT2ATDP1SLC6A3
SCHEMBL15313384 0.82 CYP1A2 (0.64) TDP1KDM4CTP53CHRM2
SCHEMBL7533150 0.77 LTA4H (0.48) GPR142TDP1SLC6A3
SCHEMBL29937460 0.76 MAOA (0.55) GPR142SLC6A3KDM4CMAOA
SCHEMBL13258500 0.75 GPR142 (0.58) GPR142
SCHEMBL5799878 0.73 MEN1 (0.78) MEN1KMT2ATDP1BCHEMAOA
SCHEMBL1654 0.73 MEN1 (0.78) MEN1KMT2ATDP1BCHEMAOA
Benzene SCHEMBL11697595 0.73 MEN1 (0.78) MEN1KMT2ATDP1BCHEMAOA
SCHEMBL2947235 0.72 ALDH1A1 (0.63) MEN1KMT2ATDP1KDM4AKDM4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277871-B1 ANTICANCER AGENTS ABBOTT LABORATORIES 2001-08-21 US disclosed