SCHEMBL29951877

SCHEMBL29951877

O=Cc1c[nH]c2cc(C(=O)O)cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PSMD14 O00487 1/20 0.37
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
HASPIN Q8TF76 1/20 0.35
HCAR2 Q8TDS4 3/20 0.35
MGAM O43451 1/20 0.35
CYP2A6 P11509 2/20 0.34
IMPDH2 P12268 1/20 0.34
ERN1 O75460 2/20 0.34
P4HA1 P13674 2/20 0.33
P4HTM Q9NXG6 2/20 0.33
NOTUM Q6P988 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HSP90AA1 P07900 1/20 0.33
ESR2 Q92731 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 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
SCHEMBL29952388 0.82 PSMD14 (0.42) PLGPLAUPSMD14ERN1ALDH1A1
SCHEMBL29956035 0.79 CCNT1 (0.38) PLGPLAUCCNT1CDK9HASPIN
SCHEMBL2671391 0.78 HCAR2 (0.44) PSMD14HCAR2MGAMP4HA1P4HTM
SCHEMBL13386987 0.78 HCAR2 (0.41) PSMD14HCAR2MGAMP4HA1P4HTM
SCHEMBL23675229 0.78 BRD4 (0.43) PSMD14HCAR2MGAMP4HA1P4HTM
SCHEMBL29954886 0.77 CCNT1 (0.39) PLGPLAUCCNT1CDK9HASPIN
SCHEMBL2549215 0.77 CCNT1 (0.39) PLGPLAUCCNT1CDK9HASPIN
Hydrochloric Acid SCHEMBL13386995 0.76 HCAR2 (0.40) PSMD14HCAR2MGAMP4HA1P4HTM
SCHEMBL16044258 0.76 CYP2A6 (0.51) PLGPLAUCCNT1CDK9HASPIN
SCHEMBL29953488 0.76 CCNT1 (0.38) PLGPLAUCCNT1CDK9HASPIN

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed