SCHEMBL21386243

SCHEMBL21386243

CNCCNS(=O)(=O)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.32
PRMT6 Q96LA8 4/20 0.32
PRMT1 Q99873 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
NPY5R Q15761 1/20 0.30

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
SCHEMBL23126916 0.79 KDM1A (0.35) KDM1ANPY5R
SCHEMBL668941 0.79 CA1 (0.50) KDM1A
SCHEMBL18236676 0.78 SAT1 (0.35) KDM1A
SCHEMBL18236985 0.77 NR1D1 (0.32) KDM1A
SCHEMBL16442244 0.77 CA1 (0.38) KDM1A
SCHEMBL14365952 0.77 KMT2A (0.37)
SCHEMBL6050956 0.76 CA1 (0.54)
SCHEMBL13194108 0.74 KDM1A (0.33) KDM1ANPY5R
SCHEMBL10321356 0.74 ALDH1A1 (0.35) KDM1ANPY5R
SCHEMBL67104 0.74 CYP3A4 (0.35) KDM1ANPY5R

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
WO-2021127499-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2021-06-24 WO disclosed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed