SCHEMBL2554914

SCHEMBL2554914

Cc1cccc(C)c1-c1nc(C=O)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
PARP1 P09874 5/20 0.33
BRPF1 P55201 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
TYMS P04818 1/20 0.31
CYP1A2 P05177 1/20 0.31
LMNA P02545 1/20 0.31
PDPK1 O15530 1/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
KDR P35968 1/20 0.31
CCR1 P32246 1/20 0.31
NR4A2 P43354 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL15330717 0.83 KDM4E (0.35) ALDH1A1PARP1TYMS
SCHEMBL2555128 0.82 TRIM24 (0.37) TRIM24TRIM33ALDH1A1TSHRPARP1
SCHEMBL15329991 0.79 ERN1 (0.34) PARP1GPR84CCR1
SCHEMBL2560990 0.79 GUSB (0.40) ALDH1A1PARP1GPR84NR4A2
SCHEMBL2554101 0.79 TLR2 (0.39) ALDH1A1TNKSTNKS2ELANE
SCHEMBL28856068 0.77 CCR1 (0.47) TRIM24TRIM33ALDH1A1TSHRCCR1
SCHEMBL2456169 0.77 CCR1 (0.37) CCR1
SCHEMBL29951229 0.76 PIN1 (0.44) CYP1A2
SCHEMBL8963381 0.74 NISCH (0.42) ALDH1A1TSHRPARP1TNKSTNKS2
SCHEMBL2562158 0.73 NPBWR1 (0.38) ALDH1A1LMNA

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