SCHEMBL28299484

SCHEMBL28299484

COCCc1cccnn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.42
CYP1A2 P05177 1/20 0.39
P2RX7 Q99572 1/20 0.35
HRH1 P35367 3/20 0.35
CHRM1 P11229 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
BRD4 O60885 1/20 0.33
TSHR P16473 1/20 0.32
GOT1 P17174 1/20 0.32
VNN1 O95497 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NLRP3 Q96P20 1/20 0.32
CYP2D6 P10635 2/20 0.32
KCNH2 Q12809 2/20 0.32
CA12 O43570 1/20 0.31

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
SCHEMBL30481580 1.00 CTDSP1 (0.42) CTDSP1CYP1A2P2RX7HRH1CHRM1
SCHEMBL3079246 0.80 CYP1A2 (0.47) CTDSP1CYP1A2P2RX7HRH1CHRM1
SCHEMBL3150298 0.79
SCHEMBL3240853 0.77
SCHEMBL31356502 0.77
SCHEMBL18854185 0.76 CYP1A2 (0.44) CTDSP1CYP1A2P2RX7HRH1CHRM1
SCHEMBL14167085 0.76 CTDSP1 (0.42) CTDSP1CYP1A2P2RX7HRH1CHRM1
SCHEMBL31571547 0.76 KCNA3 (0.47) CYP1A2VNN1KCNH2ALDH1A1
SCHEMBL28068540 0.76 CTDSP1 (0.43) CTDSP1CYP1A2P2RX7HRH1CHRM1
SCHEMBL12079657 0.74 SCN8A (0.46) CTDSP1CYP1A2VNN1KMT2ACYP2D6

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-109790143-A Amine-linked C for target protein degradation3-glutarimide solution stator body C4医药公司 2019-05-21 CN disclosed