SCHEMBL5795085

SCHEMBL5795085

O=c1ocnc2ccc(I)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
ELANE P08246 2/20 0.39
TYMS P04818 2/20 0.36
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
DYRK1A Q13627 5/20 0.33
CCNC P24863 1/20 0.33

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
SCHEMBL13564437 0.78 ELANE (0.39) ELANEDYRK1A
SCHEMBL5793353 0.78 CHEK1 (0.50) ELANECCNCCDK8
SCHEMBL4966850 0.78 PARP1 (0.50) PARP1ELANETYMS
SCHEMBL28418624 0.78 PARP1 (0.50) PARP1ELANETYMSC1R
SCHEMBL28419509 0.78 ELANE (0.54) PARP1ELANEC1R
SCHEMBL11207150 0.78 ELANE (0.42) ELANEDYRK1A
SCHEMBL10781415 0.76 ELANE (0.41) ELANEDYRK1A
SCHEMBL28249291 0.75 KDM4E (0.42) ELANEDYRK1A
SCHEMBL17190724 0.74 LMNA (0.48) C1R
SCHEMBL912750 0.72 ELANE (0.52) PARP1ELANE

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-2006012577-A2 QUINAZOLINONE DERIVATIVES USEFUL FOR THE REGULATION OF GLUCOSE HOMEOSTASIS AND FOOD INTAKE BAYER PHARMACEUTICALS CORPORATION (US) 2006-02-02 WO disclosed