SCHEMBL30665115

SCHEMBL30665115

CCCCCCCC(C)c1nccnc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2A P08913 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
FFAR1 O14842 1/20 0.34
CA1 P00915 1/20 0.34
EPHX1 P07099 1/20 0.34
APAF1 O14727 1/20 0.34
RGS12 O14924 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
SCHEMBL29117493 0.79 FAAH (0.39) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL29385201 0.77 KDM4E (0.39) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL17479634 0.77 ALDH1A1 (0.48) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL30665055 0.77 L3MBTL1 (0.37) CA1
SCHEMBL30514230 0.74 ALDH1A1 (0.40) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL31046830 0.73 ADORA3 (0.36) MEN1KMT2ALMNA
SCHEMBL3924183 0.73 KDM4E (0.41) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL3614621 0.73 KDM4E (0.41) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL28377618 0.72 GPR84 (0.39) GPR84MAPTACE2FFAR1
SCHEMBL30106531 0.71 ALDH1A1 (0.51) MEN1KMT2ALMNACYP3A4MAPT

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
CN-116997548-A HTT modulators for the treatment of huntington's disease CHDI基金会股份有限公司 2023-11-03 CN disclosed