SCHEMBL28431069

SCHEMBL28431069

CCCCCN1CCN(C(=O)OCc2ccccc2)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TMEM97 Q5BJF2 9/20 0.47
SIGMAR1 Q99720 9/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
HRH2 P25021 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR1E P28566 1/20 0.46
SLC6A4 P31645 1/20 0.46
HRH1 P35367 1/20 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
SCHEMBL6487467 0.99 ELANE (0.46) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL28429226 0.96 MEN1 (0.48) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL16475199 0.92 TMEM97 (0.52) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL3622805 0.85 MEN1 (0.51) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL28433633 0.85 P2RX7 (0.49) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL4391159 0.84 MEN1 (0.50) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL7007408 0.84 TMEM97 (0.56) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL28429220 0.84 USP19 (0.49) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL1088050 0.84 ALDH1A1 (0.48) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL3902852 0.83 SMN1; SMN2 (0.56) MEN1KMT2ANPSR1TMEM97SIGMAR1

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-107098886-B Prazinone-containing quinazolinone PARP-1/2 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-07-14 CN disclosed