SCHEMBL7195355

SCHEMBL7195355

O=C(O)c1cccn1-c1ccc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NAPRT Q6XQN6 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
TSHR P16473 1/20 0.33
MCL1 Q07820 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
DAO P14920 1/20 0.31
CYP2D6 P10635 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
SCHEMBL7195400 0.73 DAO (0.34) HDAC8HDAC6DAO
SCHEMBL4787559 0.71 POLB (0.61) POLBAPEX1TDP1L3MBTL1KDM4E
SCHEMBL10370901 0.69 AURKA (0.34)
SCHEMBL1037428 0.69 ALDH1A1 (0.31)
SCHEMBL6960888 0.69 ATM (0.52) POLBL3MBTL1KDM4EGAAMAPT
SCHEMBL30829486 0.69 KDM4C (0.39) POLBNAPRTKDM4EGAAMAPT
SCHEMBL30590679 0.69 POLB (0.46) POLBAPEX1TDP1L3MBTL1GAA
SCHEMBL25778558 0.67 L3MBTL1 (0.51) POLBAPEX1TDP1L3MBTL1NAPRT
SCHEMBL1799123 0.67
SCHEMBL9217273 0.66 DAO (0.34) TDP1NAPRTMCL1DAO

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
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 WO disclosed