SCHEMBL31259643

SCHEMBL31259643

Cn1cc(-c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
ERN1 O75460 1/20 0.45
CA2 P00918 4/20 0.42
CA5A P35218 2/20 0.42
CA1 P00915 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CCNT1 O60563 4/20 0.41
CCNE2 O96020 4/20 0.41
CCNE1 P24864 4/20 0.41
CDK2 P24941 4/20 0.41
CDK9 P50750 4/20 0.41
CCNB2 O95067 3/20 0.41
CDK1 P06493 3/20 0.41
CCNB1 P14635 3/20 0.41
CDK5 Q00535 3/20 0.41
CDK5R1 Q15078 3/20 0.41
CCNB3 Q8WWL7 3/20 0.41

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
SCHEMBL31259778 0.85 ERN1 (0.44) CCNCCDK8ERN1CCNT1CCNE2
SCHEMBL31259726 0.85 CA12 (0.46) CCNCCDK8ERN1CA2CA5A
SCHEMBL17680435 0.84 CYP19A1 (0.55) ERN1CCNT1CCNE2CCNE1CDK2
SCHEMBL17680442 0.81 ERN1 (0.49) ERN1CCNT1CCNE2CCNE1CDK2
SCHEMBL31259699 0.79 CCNC (0.49) CCNCCDK8CCNT1CCNE2CCNE1
SCHEMBL1571809 0.78 ERN1 (0.55) ERN1CCNT1CCNE2CCNE1CDK2
SCHEMBL29764345 0.75 CCNC (0.64) CCNCCDK8CA2CA1CA9
SCHEMBL16055423 0.75 ERN1 (0.46) ERN1CCNT1CCNE2CCNE1CDK2
SCHEMBL1571428 0.75 ERN1 (0.52) ERN1CCNT1CCNE2CCNE1CDK2
SCHEMBL19551760 0.74 CA12 (0.44) CCNCCDK8CA2CA5ACA1

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-2024254527-A1 METHODS OF TREATING INFLAMMATORY DISEASES INTERLINE THERAPEUTICS, INC. (US) 2024-12-12 WO disclosed