SCHEMBL5324142

SCHEMBL5324142

O=C(/C=C/C1C=CC(O)(NS(=O)(=O)c2ccccc2)C=C1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA4 P22748 2/20 0.38
KAT6A Q92794 1/20 0.38
KDM4E B2RXH2 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CA9 Q16790 1/20 0.37
KMT2A Q03164 4/20 0.36
MAPT P10636 7/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
PLIN1 O60240 2/20 0.35
LMNA P02545 2/20 0.35
PLIN5 Q00G26 2/20 0.35
ABHD5 Q8WTS1 2/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL3902400 0.90 KMT2A (0.41) CA1CA2CA4KAT6AKMT2A
SCHEMBL3772639 0.89 MAOB (0.46) CA1CA2CA4CA9MAPT
SCHEMBL3891556 0.85 KAT6A (0.43) KAT6A
SCHEMBL3767566 0.82 CA1 (0.34) CA1CA2CA4KAT6AKDM4E
SCHEMBL10425119 0.78 MAPT (0.45) KDM4EKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3892105 0.78 KMT2A (0.37) CA1CA2CA4KAT6AKDM4E
SCHEMBL3897329 0.78 KMT2A (0.37) CA1CA2CA4KAT6AKDM4E
SCHEMBL3895888 0.76 KMT2A (0.41) CA1CA2CA4KDM4ERXFP1
SCHEMBL3899594 0.76 ALDH1A1 (0.38) CA1CA2CA4KDM4ECA9
SCHEMBL3891422 0.75 KMT2A (0.38) CA1CA2CA4KAT6AKMT2A

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-2007114532-A1 NOVEL CHALCONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT, METHOD FOR PREPARATION AND USES THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY (KR) 2007-10-11 WO disclosed