SCHEMBL29102428

SCHEMBL29102428

CCOc1cccc2c(C#N)c3c(OCC)cccc3cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 1/20 0.38
TSHR P16473 1/20 0.36
MAPT P10636 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HTR1B P28222 2/20 0.35
PABPC1 P11940 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2A6 P11509 1/20 0.35
GRK6 P43250 1/20 0.35
GRM5 P41594 1/20 0.35
CTSS P25774 1/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIP4K2A P48426 1/20 0.35
IKBKB O14920 1/20 0.35
POLB P06746 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
SCHEMBL29102437 0.75 HTR1B (0.41) TSHRMAPTMEN1KMT2AKDM4E
SCHEMBL29102436 0.74 CYP2A6 (0.47) TSHRMAPTHTR1BCYP2A6NPSR1
SCHEMBL29919659 0.74 CYP2A6 (0.47) TSHRMAPTHTR1BCYP2A6NPSR1
SCHEMBL23093948 0.73 IMPDH2 (0.44) PDE3AMAPTMEN1KMT2AKDM4E
SCHEMBL8566192 0.73 AR (0.43) MAPTMEN1KMT2AKDM4ECYP2A6
SCHEMBL12146426 0.71 GRM5 (0.43) TSHRMAPTMEN1KMT2AKDM4E
SCHEMBL10588542 0.71 ALOX5 (0.47) TSHRMAPTMEN1KMT2AKDM4E
SCHEMBL45343 0.70 HTR1B (0.61) TSHRKDM4EHTR1BTDP1HPGD
SCHEMBL23458217 0.70 NQO1 (0.59) MAPTKDM4ETDP1LMNANPSR1
SCHEMBL29919618 0.70 NQO1 (0.59) MAPTKDM4ETDP1LMNANPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024912-A High-pressure-bearing epoxy resin plugging material and oil-based drilling fluid 西南石油大学 2023-11-10 CN claimed
CN-117024912-A High-pressure-bearing epoxy resin plugging material and oil-based drilling fluid 西南石油大学 2023-11-10 CN disclosed