SCHEMBL8345211

SCHEMBL8345211

CC(C)c1nc(CCC(=O)O)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.40
LMNA P02545 2/20 0.39
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ENPP2 Q13822 5/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNH2 Q12809 1/20 0.34
GSK3B P49841 1/20 0.33
P2RX3 P56373 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
TBXAS1 P24557 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
SCHEMBL6967782 0.92 LMNA (0.39) TBXA2RLMNARXFP1MEN1KMT2A
SCHEMBL14439810 0.90 MEN1 (0.37) TBXA2RMEN1KMT2ATDP1KCNH2
SCHEMBL6969096 0.90 LMNA (0.42) TBXA2RLMNARXFP1ENPP2TBXAS1
SCHEMBL6968985 0.90 KDM4E (0.38) ENPP2KDM4EP2RX3
SCHEMBL8343038 0.89 TBXA2R (0.42) TBXA2RLMNARXFP1MEN1KMT2A
SCHEMBL8347165 0.89 LMNA (0.45) TBXA2RLMNARXFP1MEN1KMT2A
Carbamic Acid SCHEMBL5064953 0.89 PIM1 (0.35) MEN1KMT2AENPP2TDP1KCNH2
SCHEMBL6969945 0.88 KCNH2 (0.34) MEN1KMT2AENPP2TDP1KCNH2
SCHEMBL4680536 0.86 MEN1 (0.38) LMNAMEN1KMT2AKDM4EALDH1A1
Carbamic Acid SCHEMBL667612 0.86 PIM1 (0.36) MEN1KMT2ATDP1KCNH2GSK3B

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-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed