SCHEMBL876123

SCHEMBL876123

CON=CCc1ccc2ccccc2c1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
ABCG2 Q9UNQ0 3/20 0.38
POLB P06746 2/20 0.36
HTT P42858 2/20 0.36
MTNR1A P48039 1/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PARP10 Q53GL7 2/20 0.36
NCEH1 Q6PIU2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL876121 1.00 ALDH1A1 (0.40) ALDH1A1LMNAMAPTMAPK1ABCG2
SCHEMBL875237 0.83 MEN1 (0.33) ALDH1A1LMNAMAPTABCG2MTNR1A
SCHEMBL875239 0.83 MEN1 (0.33) ALDH1A1LMNAMAPTABCG2MTNR1A
SCHEMBL19320914 0.79 PARP10 (0.44) MTNR1AMEN1KMT2APARP10NCEH1
SCHEMBL4575100 0.77 MEN1 (0.38) ALDH1A1ABCG2HTTMTNR1AKDM4E
SCHEMBL19325982 0.77 PARP10 (0.46) ALDH1A1POLBMTNR1AKDM4ECYP1A2
SCHEMBL28189392 0.77 MAPK8 (0.42) ALDH1A1MTNR1AKDM4ECYP1A2CYP2C19
SCHEMBL366864 0.76 MTNR1A (0.37) ALDH1A1ABCG2HTTMTNR1AKDM4E
SCHEMBL3936169 0.76 MEN1 (0.40) ALDH1A1ABCG2HTTMTNR1AKDM4E
SCHEMBL28000844 0.75 MTNR1A (0.42) ALDH1A1MTNR1AKDM4ECYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619189-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS Zoetis LLC (US) 2013-07-31 EP claimed
WO-2012038851-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 WO claimed
EP-2619189-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS Zoetis LLC (US) 2013-07-31 EP disclosed
WO-2012038851-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 WO disclosed