SCHEMBL19002422

SCHEMBL19002422

CS(=O)(=O)/C(C#N)=C/c1cccc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.53
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 4/20 0.47
PPME1 Q9Y570 4/20 0.47
APEH P13798 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
PKM P14618 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
ALPG P10696 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NEK2 P51955 2/20 0.46
EGFR P00533 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
SCHEMBL11560494 0.86 PPME1 (0.55) BTKMEN1KMT2AKDM4EPPME1
SCHEMBL11560496 0.86 PPME1 (0.55) BTKMEN1KMT2AKDM4EPPME1
SCHEMBL11563220 0.81 PPME1 (0.57) BTKMEN1KMT2AKDM4EPPME1
SCHEMBL8540758 0.76 CYP1A2 (0.58) MEN1KMT2AKDM4EPPME1ALDH1A1
SCHEMBL8540762 0.76 CYP1A2 (0.58) MEN1KMT2AKDM4EPPME1ALDH1A1
SCHEMBL29289237 0.71 ALDH1A1 (0.65) MEN1KMT2AKDM4EPPME1ALDH1A1
SCHEMBL29289241 0.71 ALDH1A1 (0.65) MEN1KMT2AKDM4EPPME1ALDH1A1
SCHEMBL4144065 0.70 NEK2 (0.49) BTKMEN1KMT2AKDM4EPPME1
SCHEMBL4144063 0.70 NEK2 (0.49) BTKMEN1KMT2AKDM4EPPME1
SCHEMBL5439935 0.70 AKR1C3 (0.45) MEN1KMT2AALDH1A1PTGS2TP53

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-2017106552-A1 POTENTIATORS OF BETA-LACTAM ANTIBIOTICS AND COMBINATION THERAPY UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-06-22 WO disclosed