SCHEMBL6972144

SCHEMBL6972144

CNCc1nc(C(C)C)c(Sc2cccc(Cl)c2)n1Cc1ccncc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
PRMT6 Q96LA8 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE4B Q07343 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
P2RX3 P56373 1/20 0.32

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
SCHEMBL6973648 0.91 KCNH2 (0.34) PRMT6TDP1KCNH2
SCHEMBL6965333 0.91 ALDH1A1 (0.41) PRMT6TDP1MEN1KMT2AALDH1A1
SCHEMBL7086493 0.89 GRIN1 (0.35) PRMT6KMT2AKDM4ELMNATP53
SCHEMBL6960328 0.89 ALDH1A1 (0.37) PRMT6TDP1ALDH1A1KDM4EMAPT
SCHEMBL6974067 0.89 POLB (0.38) IDO1TDP1NPSR1L3MBTL1ALDH1A1
SCHEMBL7079909 0.88 IDO1 (0.36) IDO1TDP1MEN1KMT2ANPSR1
SCHEMBL6967360 0.88 IDO1 (0.36) IDO1TDP1MEN1KMT2ANPSR1
SCHEMBL6974725 0.88 POLB (0.37) IDO1TDP1NPSR1L3MBTL1ALDH1A1
SCHEMBL6972096 0.88 LMNA (0.37) IDO1TDP1ALDH1A1POLBSMN1; SMN2
SCHEMBL6964460 0.87 TDP1 (0.37) IDO1TDP1MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
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
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed