SCHEMBL17844141

SCHEMBL17844141

CC(C)(C)n1sc(-c2ccccc2)c(NCCNc2ncc(C(F)(F)F)cc2Cl)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
MAPT P10636 6/20 0.49
GAA P10253 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 4/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
HTT P42858 5/20 0.48
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 4/20 0.48
LMNA P02545 4/20 0.48
JAK2 O60674 1/20 0.48
HSP90AA1 P07900 1/20 0.48
PKM P14618 1/20 0.48
MC4R P32245 1/20 0.48
CCR6 P51684 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
TLR9 Q9NR96 1/20 0.48
NPC1 O15118 2/20 0.46

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
SCHEMBL5261593 0.76 MAPT (0.40) MEN1KMT2AMAPTTDP1HTT
SCHEMBL5316660 0.76 METAP1 (0.49) MEN1KMT2AMAPTGAAPOLB
SCHEMBL17844119 0.75 TAAR1 (0.40) MEN1KMT2AMAPTGAAPOLB
SCHEMBL1998134 0.73 POLB (0.50) MEN1KMT2AMAPTGAATDP1
SCHEMBL17844227 0.71 POLB (0.39) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL17844110 0.69 MAOA (0.40) MEN1KMT2APOLB
SCHEMBL5306584 0.69 NTRK1 (0.38)
SCHEMBL17844176 0.69 ADORA3 (0.35) CYP3A4CYP2D6
SCHEMBL22809456 0.69 POLB (0.69) MEN1KMT2AMAPTGAATDP1
SCHEMBL28981214 0.69 ALDH1A1 (0.65) MEN1KMT2AMAPTGAATDP1

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
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed