SCHEMBL20131035

SCHEMBL20131035

C=C/C(=C\c1cccnc1C)C(=O)Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ TRIM24 O15164 1/20 0.31
▸ TRIM33 Q9UPN9 1/20 0.31
▸ GSR P00390 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ F13A1 P00488 1/20 0.30
▸ TGM2 P21980 1/20 0.30
▸ TGM1 P22735 1/20 0.30

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
SCHEMBL18993786 0.76 P2RX7 (0.34) P2RX7MKNK1MKNK2TRIM24TRIM33
SCHEMBL22199160 0.72 P2RX7 (0.41) P2RX7MKNK1MKNK2CYP1A2CYP3A4
SCHEMBL18133177 0.71 P2RX7 (0.38) P2RX7MKNK1MKNK2MAPTTRIM24
SCHEMBL935465 0.70 — —
Hydrochloric Acid SCHEMBL4201170 0.69 ALDH1A1 (0.37) P2RX7MKNK1MKNK2MAPTTRIM24
SCHEMBL21094709 0.68 P2RX7 (0.37) P2RX7MKNK1MKNK2CYP1A2CYP3A4
SCHEMBL11173012 0.68 TRIM24 (0.35) P2RX7MKNK1MKNK2MAPTTRIM24
SCHEMBL312449 0.67 — —
SCHEMBL14677805 0.67 — —
SCHEMBL29948333 0.67 — —

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
US-10246553-B2 Organic fluorine compound and lubricant SHOWA DENKO K.K. (JP) 2019-04-02 — — US disclosed
US-20180127543-A1 ORGANIC FLUORINE COMPOUND AND LUBRICANT SHOWA DENKO K.K. (JP) 2018-05-10 — — US disclosed
Send feedback