SCHEMBL31027770

SCHEMBL31027770

O=C(O)c1cn2ccc(F)cc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
KDM4E B2RXH2 4/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
METTL3 Q86U44 1/20 0.40
EGLN1 Q9GZT9 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALOX15 P16050 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37

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
SCHEMBL21033505 0.83 PTGS1 (0.51) PTGS1PTGS2KDM4EPOLBNPC1
SCHEMBL9753536 0.81 PTGS1 (0.60) PTGS1PTGS2KDM4EPOLBNPC1
SCHEMBL4348612 0.81 PTGS1 (0.60) PTGS1PTGS2KDM4EPOLBNPC1
SCHEMBL1759007 0.80 KDM4E (0.67) PTGS1PTGS2KDM4EPOLBNPC1
Bromide SCHEMBL4347296 0.80 PTGS1 (0.58) PTGS1PTGS2KDM4EPOLBNPC1
SCHEMBL17515036 0.80 PTGS1 (0.58) PTGS1PTGS2KDM4EPOLBNPC1
SCHEMBL3653537 0.80 PTGS1 (0.58) PTGS1PTGS2KDM4EPOLBNPC1
SCHEMBL1647253 0.80 PTGS1 (0.58) PTGS1PTGS2KDM4EPOLBNPC1
SCHEMBL1311686 0.80 PTGS1 (0.39) PTGS1PTGS2KDM4EPOLBNPC1
SCHEMBL15767159 0.78 KDM4E (0.76) KDM4EPOLBNPC1RAB9AALDH1A1

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-118546665-A Preparation method and application of acidizing corrosion inhibitor suitable for multi-medium acid 山东滨州昱诚化工科技有限公司 2024-08-27 CN claimed
CN-118546665-A Preparation method and application of acidizing corrosion inhibitor suitable for multi-medium acid 山东滨州昱诚化工科技有限公司 2024-08-27 CN disclosed