SCHEMBL2556296

SCHEMBL2556296

Nc1ccc(-c2cnccc2C=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.44
PRKCZ Q05513 2/20 0.42
CYP17A1 P05093 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CCNC P24863 8/20 0.40
CDK8 P49336 8/20 0.40
RPS6KA3 P51812 1/20 0.39
MAPK10 P53779 1/20 0.38
ERN1 O75460 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CHRM1 P11229 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL19126830 0.82 SLC22A12 (0.44) SLC22A12CCNCCDK8RPS6KA3ERN1
SCHEMBL11379135 0.82 SLC22A12 (0.46) SLC22A12CCNCCDK8RPS6KA3ERN1
SCHEMBL11383161 0.81 CCNC (0.46) SLC22A12PRKCZCYP3A4CCNCCDK8
SCHEMBL29681568 0.81 CCNT1 (0.42) CCNCCDK8ERN1CCNT1CDK9
SCHEMBL2559873 0.80 MKNK1 (0.51) SLC22A12CYP17A1CCNCCDK8ERN1
SCHEMBL14079601 0.80 MEN1 (0.51) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL6824324 0.79 CACNA1B (0.40) CCNCCDK8RPS6KA3ERN1ALDH1A1
SCHEMBL30479910 0.78 SLC22A12 (0.49) SLC22A12CYP3A4CYP11B1CYP11B2CCNC
SCHEMBL25246551 0.77 CYP17A1 (0.39) CYP17A1CCNCCDK8RPS6KA3ERN1
SCHEMBL15652488 0.75 SLC22A12 (0.48) SLC22A12CCNCCDK8RPS6KA3ERN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed