SCHEMBL8028340

SCHEMBL8028340

N#Cc1ccc(Cc2nc3cc(NS(=O)(=O)c4ccccc4CCN4CCCC4)ccc3n2Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 4/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
F2 P00734 4/20 0.43
USP2 O75604 2/20 0.41
KCNH2 Q12809 2/20 0.41
HTR6 P50406 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8016214 0.96 LMNA (0.47) PAX8POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL8032038 0.86 F2 (0.46) LMNASMN1; SMN2TP53HTTF2
SCHEMBL8032566 0.86 F2 (0.46) LMNASMN1; SMN2TP53HTTF2
SCHEMBL8033092 0.85 F2 (0.51) LMNAF2
SCHEMBL8028568 0.82 F2 (0.61) PAX8POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL8028095 0.81 F2 (0.48) LMNASMN1; SMN2TP53HTTNPSR1
SCHEMBL8031600 0.81 BCHE (0.45) PAX8POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL8015857 0.81 BRD4 (0.46) PAX8POLBLMNAALDH1A1THRB
SCHEMBL8026892 0.77 F2 (0.53) PAX8POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL8032153 0.77 F2 (0.55) PAX8POLBLMNASMN1; SMN2F2

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-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed