SCHEMBL7745696

SCHEMBL7745696

CN(C)C(=O)c1ccc(CON)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ IDO1 P14902 10/20 0.50
▸ HSD11B1 P28845 1/20 0.49
▸ AGXT P21549 6/20 0.48
▸ EPHX2 P34913 1/20 0.45
▸ NR1H4 Q96RI1 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ MAOB P27338 1/20 0.43
▸ AOC3 Q16853 1/20 0.43
▸ KIF11 P52732 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43

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
SCHEMBL865129 0.85 HSD11B1 (0.58) ALDH1A1HPGDSMN1; SMN2HSD11B1EPHX2
SCHEMBL16242079 0.83 ALDH1A1 (0.55) ALDH1A1HPGDSMN1; SMN2HSD11B1EPHX2
SCHEMBL16242078 0.81 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD11B1EPHX2
SCHEMBL18193472 0.81 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD11B1EPHX2
SCHEMBL21015325 0.79 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2HSD11B1EPHX2
SCHEMBL7048462 0.79 KMT2A (0.59) ALDH1A1HPGDSMN1; SMN2IDO1AGXT
SCHEMBL3818379 0.79 LOXL2 (0.55) ALDH1A1HPGDSMN1; SMN2HSD11B1EPHX2
SCHEMBL14101266 0.77 HSD11B1 (0.52) ALDH1A1HPGDSMN1; SMN2HSD11B1EPHX2
Hydrochloric Acid SCHEMBL9726409 0.77 LOXL2 (0.53) ALDH1A1HPGDSMN1; SMN2HSD11B1EPHX2
SCHEMBL7153089 0.77 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2HSD11B1EPHX2

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-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 — — US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 — — US disclosed
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