SCHEMBL29569867

SCHEMBL29569867

COC(=O)c1cc(F)c(I)cc1S(=O)(=O)N(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
TARBP2 Q15633 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.40
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 2/20 0.39
GLA P06280 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL20501207 1.00 KMT2A (0.41) KMT2ATARBP2GAANPSR1KDM4E
SCHEMBL21798595 0.86 KDM4E (0.49) KMT2ANPSR1KDM4ELMNASMN1; SMN2
SCHEMBL20501206 0.86 KMT2A (0.41) KMT2ATARBP2GAANPSR1KDM4E
SCHEMBL21798567 0.80 KDM4E (0.53) KMT2ANPSR1KDM4ELMNASMN1; SMN2
SCHEMBL19194087 0.77 KDM4E (0.59) KMT2AKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL28060100 0.77 KDM4E (0.63) KMT2AKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL20501209 0.77 ALDH1A1 (0.49) KMT2ATARBP2GAAKDM4ELMNA
SCHEMBL20501193 0.75 CFTR (0.38) GAAKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL1466405 0.74 CA1 (0.52) KMT2AGAANPSR1KDM4ELMNA
SCHEMBL18115479 0.72 USP30 (0.56) TARBP2GAANPSR1LMNASMN1; SMN2

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-2022074589-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREFOR KURES, INC. (US) 2022-04-14 WO disclosed