SCHEMBL22339079

SCHEMBL22339079

NCc1ccc(C=O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGS2 P35354 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KIF11 P52732 1/20 0.36
PTGER4 P35408 1/20 0.35
TSHR P16473 1/20 0.34
IDO1 P14902 1/20 0.33
AGXT P21549 1/20 0.33
FDPS P14324 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL12484917 0.84 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LOXL2MEN1POLB
SCHEMBL5685388 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1POLBHPGD
SCHEMBL27453852 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1POLBHPGD
SCHEMBL21936180 0.80 ALDH1A1 (0.39) ALDH1A1LOXL2TDP1TSHRIDO1
SCHEMBL29951708 0.80 KDM4E (0.57) ALDH1A1HPGDKDM4EPTGS2RAB9A
SCHEMBL28309278 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1POLBHPGD
SCHEMBL14329424 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1POLBHPGD
SCHEMBL30021567 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1POLBHPGD
SCHEMBL21902929 0.77 CA2 (0.41) ALDH1A1SMN1; SMN2MEN1POLBHPGD
SCHEMBL12319652 0.77 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020161275-A1 NEW N-BENZYL-2-PHENOXYBENZAMIDE DERIVATIVES AS PROSTAGLANDIN E2 (PGE2) RECEPTORS MODULATORS MEDIBIOFARMA, S.L. (ES) 2020-08-13 WO disclosed