SCHEMBL21963773

SCHEMBL21963773

[CH2]CS(=O)(=O)CC(=O)N1C[C@@H]2CN(c3ccc(OCC)cc3)[C@H](C1)C(C)(C)C2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.33
YAP1 P46937 1/20 0.33
TEAD4 Q15561 1/20 0.33
TEAD2 Q15562 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ACACB O00763 2/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FKBP1A P62942 1/20 0.32

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
SCHEMBL21963759 0.89 MEN1 (0.33) MEN1KMT2ATSHRYAP1TEAD4
SCHEMBL22015449 0.89 MEN1 (0.33) MEN1KMT2ATSHRYAP1TEAD4
SCHEMBL22014798 0.89 MEN1 (0.33) MEN1KMT2ATSHRYAP1TEAD4
SCHEMBL24209291 0.89 MEN1 (0.33) MEN1KMT2ATSHRYAP1TEAD4
SCHEMBL28923004 0.84 GPR119 (0.33) MEN1KMT2ATSHRUSP2TP53
Hydrochloric Acid SCHEMBL22555742 0.83 KMT2A (0.36) MEN1KMT2ATSHRUSP2TP53
SCHEMBL21963786 0.83 TP53 (0.40) MEN1KMT2ATSHRUSP2TP53
SCHEMBL24209017 0.82 CA12 (0.36) TSHRALDH1A1GAA
SCHEMBL20898275 0.81 FKBP1A (0.38) MEN1KMT2ATSHRUSP2TP53
SCHEMBL20907943 0.80 MEN1 (0.36) MEN1KMT2ATSHRUSP2TP53

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
EP-3880664-A1 LOX INHIBITORS The Institute of Cancer Research: Royal Cancer Hospital (GB) 2021-09-22 EP disclosed
WO-2020099886-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-05-22 WO disclosed