SCHEMBL15329796

SCHEMBL15329796

O=Cc1c(-c2cccc(F)c2)nn(-c2ccc(F)c(F)c2)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.37
PTGS2 P35354 4/20 0.35
PTGS1 P23219 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CSNK1E P49674 1/20 0.33
PTGER1 P34995 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
USP2 O75604 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL2558337 0.91 IDO1 (0.37) DHODHPTGS2PTGS1GAAKMT2A
SCHEMBL2555876 0.89 PTGS2 (0.36) PTGS2PTGS1CA12CA9USP2
SCHEMBL2556343 0.89 HTT (0.36) PTGS2PTGS1ALDH1A1GAAKMT2A
SCHEMBL2563295 0.89 CA1 (0.36) PTGS2PTGS1CA1CA2
SCHEMBL2554572 0.89 DHODH (0.40) DHODHPTGS2PTGS1ALDH1A1GAA
SCHEMBL15332132 0.89 CA1 (0.40) PTGS2PTGS1ALDH1A1KMT2AUSP2
SCHEMBL15330409 0.88 NPC1 (0.36) ALDH1A1GAAKMT2AIDO1TDO2
SCHEMBL2556611 0.86 DHODH (0.37) DHODHPTGS2PTGS1ALDH1A1GAA
SCHEMBL15331429 0.86 DHODH (0.40) DHODHPTGS2ALDH1A1GAAKMT2A
SCHEMBL2555850 0.86 LMNA (0.38) DHODHPTGS2PTGS1ALDH1A1KMT2A

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