SCHEMBL7939185

SCHEMBL7939185

Cc1ccc(C)c(SC#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
ALOX15 P16050 3/20 0.39
HPGD P15428 2/20 0.39
ALOX12 P18054 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 2/20 0.38
USP2 O75604 1/20 0.38
USP8 P40818 1/20 0.38
USP5 P45974 1/20 0.38
USP4 Q13107 1/20 0.38
USP7 Q93009 1/20 0.38
BRCA1 P38398 1/20 0.35
CYP2A6 P11509 2/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL30673282 0.83 HAO1 (0.43) MEN1KMT2AMAPTALOX15HPGD
SCHEMBL10897641 0.83 HAO1 (0.43) MEN1KMT2AMAPTALOX15HPGD
SCHEMBL7459101 0.81 ALDH1A1 (0.44) MEN1KMT2AMAPTHPGDHSD17B10
SCHEMBL3409348 0.79 LMNA (0.61) MEN1KMT2AMAPTALOX15HPGD
SCHEMBL19774034 0.79 USP2 (0.35) KMT2AMAPTHSD17B10ALDH1A1USP2
SCHEMBL8131924 0.79 NPC1 (0.53) MEN1KMT2AMAPTALOX15HPGD
SCHEMBL16707477 0.79 USP2 (0.44) MAPTHPGDLMNAALDH1A1USP2
SCHEMBL21564138 0.75 PKM (0.37) MEN1KMT2AMAPTALOX15HPGD
SCHEMBL20228268 0.75 USP2 (0.35) MEN1KMT2AMAPTALOX15HPGD
SCHEMBL16707476 0.75 USP2 (0.41) MAPTHPGDLMNAALDH1A1USP2

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
US-9647218-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-05-09 US disclosed
US-20150129849-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-05-14 US disclosed
EP-1138657-A1 Process for generating electrophiles from anions by reaction with electrophilic fluorinating agent AIR PRODUCTS AND CHEMICALS, INC. (US) 2001-10-04 EP disclosed
US-6270843-B1 REACTING A SALT COMPRISING ANIONIC FORM OF SUBSTITUENT WITH AN ELECTROPHILIC FLUORINATION AGENT TO PROVIDE AN ELECTROPHILE COMPRISING CATIONIC FORM OF SUBSTITUENT; ELECTROPHILICALLY SUBSTITUTING ELECTROPHILE ON SUBSTRATE AIR PRODUCTS AND CHEMICALS, INC. 2001-08-07 US disclosed