SCHEMBL10823703

SCHEMBL10823703

O=C(Nc1ccc(S(=O)(=O)Nc2ccc3cc(S(=O)(=O)O)ccc3c2O)cc1)Nc1ccc(S(=O)(=O)Nc2ccc3cc(S(=O)(=O)O)ccc3c2O)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.55
ENPP2 Q13822 5/20 0.50
CHEK1 O14757 1/20 0.49
CDK8 P49336 1/20 0.49
NEK2 P51955 1/20 0.49
LIMK1 P53667 1/20 0.49
SIRT1 Q96EB6 1/20 0.47
NT5E P21589 1/20 0.46
CD40 P25942 1/20 0.46
CD40LG P29965 1/20 0.46
TIMP3 P35625 1/20 0.45
LMNA P02545 1/20 0.44
CASP6 P55212 1/20 0.44

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
SCHEMBL10823591 0.91 PRMT1 (0.50) PRMT1CHEK1CDK8NEK2LIMK1
SCHEMBL10823561 0.89 PRMT1 (0.51) PRMT1ENPP2CHEK1CDK8NEK2
SCHEMBL10823604 0.86 ENPP2 (0.53) PRMT1ENPP2
SCHEMBL10823437 0.85 CASP6 (0.44) PRMT1ENPP2CHEK1CDK8NEK2
SCHEMBL11352189 0.84 TIMP3 (0.57) PRMT1ENPP2SIRT1NT5ECD40
SCHEMBL10823481 0.83 PRMT1 (0.59) PRMT1ENPP2SIRT1NT5ELMNA
SCHEMBL10823431 0.82 CHEK1 (0.45) CHEK1CDK8NEK2LIMK1TIMP3
SCHEMBL10823413 0.81 PRMT1 (0.53) PRMT1SIRT1NT5ETIMP3LMNA
SCHEMBL10823632 0.81 PRMT1 (0.60) PRMT1SIRT1NT5ETIMP3LMNA
SCHEMBL10823694 0.81 PRMT1 (0.53) PRMT1SIRT1TIMP3LMNA

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
US-H83-H Dental antiplaque agents and inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1986-07-01 US disclosed