SCHEMBL17844198

SCHEMBL17844198

CCCCn1sc(-c2ccccc2)c(NCCc2ccccc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
CTDSP1 Q9GZU7 1/20 0.43
POLB P06746 2/20 0.41
GRM2 Q14416 1/20 0.41
GAA P10253 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HTT P42858 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5184388 0.88 FAAH (0.47) MEN1KMT2AMAPTHPGDFAAH
SCHEMBL5186011 0.88 ALDH1A1 (0.48) MEN1KMT2APOLBGRM2GAA
SCHEMBL17844161 0.86 FAAH (0.44) MEN1KMT2AGAAMAPTHPGD
SCHEMBL17844132 0.85 FAAH (0.39) MEN1KMT2AHPGDFAAHMGLL
SCHEMBL17844174 0.82 FAAH (0.40) MEN1KMT2AGAAMAPTHPGD
SCHEMBL17844220 0.81 FAAH (0.40) MEN1KMT2AGAAHPGDFAAH
SCHEMBL17844070 0.81 FAAH (0.40) MEN1KMT2AGAAHPGDFAAH
SCHEMBL5185885 0.80 LMNA (0.43) MEN1KMT2APOLBGAAMAPT
SCHEMBL5186704 0.80 FAAH (0.38) MEN1KMT2AGAAMAPTHPGD
SCHEMBL17844060 0.79 KDM4E (0.48) KMT2APOLBGAAMAPTHTT

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