SCHEMBL28430744

SCHEMBL28430744

CC(C)CN1CCN(C(=O)OCc2ccccc2)CC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.51
USP19 O94966 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C19 P33261 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
TMEM97 Q5BJF2 7/20 0.45
SIGMAR1 Q99720 7/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD1 P21728 1/20 0.45
HRH2 P25021 1/20 0.45
HTR1B P28222 1/20 0.45

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
SCHEMBL28430739 0.90 USP19 (0.48) USP19MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL28429220 0.88 USP19 (0.49) USP19MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL3902852 0.85 SMN1; SMN2 (0.56) USP19MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL16475199 0.84 TMEM97 (0.52) P2RX7USP19MEN1KMT2ANPSR1
SCHEMBL28439343 0.84 MEN1 (0.50) USP19MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL8386105 0.84 KMT2A (0.52) USP19MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL16132827 0.82 MEN1 (0.51) P2RX7USP19MEN1KMT2ANPSR1
SCHEMBL3622805 0.82 MEN1 (0.51) USP19MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL28429226 0.82 MEN1 (0.48) USP19MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL28433633 0.82 P2RX7 (0.49) P2RX7USP19MEN1KMT2ANPSR1

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