SCHEMBL28634028

SCHEMBL28634028

F[B-](F)(F)F.O=C(CN1CC=Cc2ccccc21)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
SCN9A Q15858 1/20 0.38
HPGD P15428 2/20 0.37
DAO P14920 1/20 0.36
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL28623270 0.94 P2RX4 (0.45) P2RX4ALDH1A1SMN1; SMN2CYP3A4MAPK1
SCHEMBL28623368 0.92 P2RX4 (0.41) P2RX4ALDH1A1SMN1; SMN2CYP3A4MAPK1
SCHEMBL3729598 0.81 P2RX4 (0.41) P2RX4ALDH1A1SMN1; SMN2CYP3A4MAPK1
Hydrochloric Acid SCHEMBL28436951 0.80 P2RX4 (0.40) P2RX4ALDH1A1SMN1; SMN2CYP3A4MAPK1
Sulfuric Acid SCHEMBL28577925 0.76 P2RX4 (0.37) P2RX4ALDH1A1SMN1; SMN2CYP3A4MAPK1
Phosphoric Acid SCHEMBL28440442 0.76 P2RX4 (0.37) P2RX4ALDH1A1SMN1; SMN2CYP3A4MAPK1
SCHEMBL10760089 0.71 CHRM2 (0.38) P2RX4ALDH1A1SMN1; SMN2CYP3A4MAPK1
SCHEMBL28221845 0.71 P2RX4 (0.33) P2RX4ALDH1A1SMN1; SMN2CYP3A4MAPK1
SCHEMBL27974047 0.70 DRD2 (0.34) P2RX4ALDH1A1MAPK1TSHRKDM4E
Hydrochloric Acid SCHEMBL11699063 0.70 NPSR1 (0.44) P2RX4ALDH1A1SMN1; SMN2MAPK1TSHR

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-108350150-B Epoxy resin composition 亨斯迈先进材料许可(瑞士)有限公司 2021-09-10 CN disclosed