SCHEMBL15330563

SCHEMBL15330563

O=Cc1c[nH]c(-c2ccccc2I)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C1R P00736 5/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
KLK1 P06870 1/20 0.36
PRSS1 P07477 1/20 0.36
C1S P09871 1/20 0.36
HTR2B P41595 1/20 0.35
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
AXL P30530 1/20 0.31
CCR1 P32246 1/20 0.31
CYP2A6 P11509 1/20 0.30
IMPDH2 P12268 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
SCHEMBL15330942 0.81 ALDH1A1 (0.44) C1RHTR2BCYP2A6
SCHEMBL3699501 0.81 DCUN1D1 (0.44) C1RHTR2B
SCHEMBL2554044 0.81 ALDH1A1 (0.44) C1R
SCHEMBL15330744 0.81 HTR2B (0.51) HTR2B
SCHEMBL29953309 0.80 KDM4E (0.38) CYP2A6IMPDH2
SCHEMBL2561371 0.78 KDM4E (0.49)
SCHEMBL15332409 0.78 DCUN1D1 (0.48) C1R
SCHEMBL15329526 0.78 PARP1 (0.40) C1R
SCHEMBL15332078 0.78 TRPA1 (0.40) IMPDH2
SCHEMBL2456169 0.77 CCR1 (0.37) CCR1

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 5 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