SCHEMBL6973627

SCHEMBL6973627

CCn1c(CC#N)nc(C(C)C)c1Sc1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRM5 P41594 4/20 0.36
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL6967284 0.89 HSP90B1 (0.35)
SCHEMBL7087586 0.88 MEN1 (0.45) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6969333 0.87 DHODH (0.33) KMT2ALMNADHFRMAOAMAOB
SCHEMBL6964460 0.87 TDP1 (0.37) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL7080138 0.86 RAB9A (0.34) TDP1L3MBTL1TSHRLMNAMAOA
SCHEMBL7080431 0.86 MEN1 (0.36) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6966003 0.85 TYMS (0.37) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6961885 0.85 TP53 (0.37) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6969433 0.84 KMT2A (0.38) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6963544 0.83 POLB (0.45) MEN1KMT2ANPSR1TDP1L3MBTL1

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