SCHEMBL24322353

SCHEMBL24322353

COB(O)c1ccnc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.43
DYRK1A Q13627 2/20 0.41
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
CCR1 P32246 2/20 0.31
CCR5 P51681 2/20 0.31
CCR8 P51685 2/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
PIK3CB P42338 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
PIM1 P11309 1/20 0.30
DYRK2 Q92630 1/20 0.30
DYRK1B Q9Y463 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
SCHEMBL8870 0.79 UHRF1 (0.50) UHRF1DYRK1ASMARCA2SMARCA4CCR1
SCHEMBL29375940 0.79 UHRF1 (0.50) UHRF1DYRK1ASMARCA2SMARCA4CCR1
SCHEMBL22954215 0.79 LOX (0.44) DYRK1ACCR1CCR5CCR8S1PR1
SCHEMBL18595956 0.79 LOXL2 (0.36) DYRK1ACCR1CCR5CCR8
SCHEMBL27812389 0.79 UHRF1 (0.35) UHRF1DYRK1A
Hydrochloric Acid SCHEMBL4214269 0.78 UHRF1 (0.48) UHRF1DYRK1ASMARCA2SMARCA4CCR1
Hydrochloric Acid SCHEMBL29957591 0.78 UHRF1 (0.48) UHRF1DYRK1ASMARCA2SMARCA4CCR1
SCHEMBL1118010 0.76 UHRF1 (0.36) UHRF1DYRK1A
SCHEMBL16825623 0.73 CYP1A2 (0.33)
SCHEMBL14703764 0.71

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
EP-3436450-B1 REACTION MEDIUM CONTAINING WATER-SURFACTANT MIXTURE NOVARTIS AG (CH) 2022-03-09 EP disclosed