SCHEMBL29495012

SCHEMBL29495012

C=CC(=O)NNc1cnccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.43
ESR1 P03372 1/20 0.43
HTR1A P08908 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
HRH1 P35367 1/20 0.43
PDE4D Q08499 1/20 0.43
SLC29A1 Q99808 1/20 0.43
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 6/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
EGFR P00533 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
SCHEMBL11997717 0.82 KMT2A (0.50) KMT2AKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL31536297 0.82 KMT2A (0.50) KMT2AKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL9131695 0.78 KDM4E (0.46) KMT2AKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL13134390 0.77 KDM4E (0.50) KMT2AKDM4ERAB9ANPC1MAPT
SCHEMBL7955683 0.77 RAB9A (0.45) KMT2AKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL27904617 0.76 GAA (0.54) XPO1KMT2AKDM4ERAB9ANPC1
SCHEMBL10025629 0.72 KMT2A (0.42) XPO1ESR1HTR1APTGS1PTGS2
SCHEMBL1366867 0.72 XPO1 (0.43) XPO1ESR1HTR1APTGS1PTGS2
SCHEMBL30546146 0.71 MAPT (0.52) KMT2ASMN1; SMN2MAPTHTTALDH1A1
SCHEMBL26123781 0.71 MAPT (0.52) KMT2ASMN1; SMN2MAPTHTTALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802501-B1 COMPOUNDS AS NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XWPHARMA LTD (KY) 2024-02-28 EP claimed
EP-4461370-A2 ANTIPROLIFERATIVE COMPOUNDS AND SECOND ACTIVE AGENTS FOR USE IN TREATING MULTIPLE MYELOMA Celgene Corporation (US) 2024-11-13 EP disclosed
EP-3908281-B9 ANTIPROLIFERATIVE COMPOUNDS AND SECOND ACTIVE AGENTS FOR USE IN TREATING MULTIPLE MYELOMA CELGENE CORP (US) 2024-10-16 EP disclosed
EP-3908281-B1 ANTIPROLIFERATIVE COMPOUNDS AND SECOND ACTIVE AGENTS FOR USE IN TREATING MULTIPLE MYELOMA CELGENE CORP (US) 2024-07-31 EP disclosed
CN-117229268-A Hydrazide-containing nuclear transport modulators and uses thereof 卡尔约药物治疗公司 2023-12-15 CN disclosed
CN-110372673-B Hydrazide-containing nuclear transport modulators and uses thereof 卡尔约药物治疗公司 2023-10-03 CN disclosed
CN-110372672-B Hydrazide-containing nuclear transport modulators and uses thereof 卡尔约药物治疗公司 2023-09-29 CN disclosed
CN-115315260-A Therapy for treating cancer 新基公司 2022-11-08 CN disclosed
EP-3962898-A1 PROCESS FOR PREPARING XPO1 INHIBITORS AND INTERMEDIATES FOR USE IN THE PREPARATION OF XP01 INHIBITORS Karyopharm Therapeutics, Inc. (US) 2022-03-09 EP disclosed