SCHEMBL2554743

SCHEMBL2554743

O=Cc1c(-c2ccc(F)cc2)nn(-c2cccc(Cl)c2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.39
PPP1CA P62136 1/20 0.38
TRPV1 Q8NER1 4/20 0.37
SRC P12931 2/20 0.36
BRAF P15056 2/20 0.36
KDR P35968 2/20 0.36
PIK3CG P48736 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL2562771 0.91 PPP1CA (0.45) LMNAPPP1CASRCPTGS1PTGS2
SCHEMBL2558547 0.90 TRPV1 (0.36) LMNAPPP1CATRPV1CYP3A4CYP2C19
SCHEMBL15330409 0.89 NPC1 (0.36) PPP1CATRPV1IDO1TDO2ESR1
SCHEMBL2556481 0.89 DGAT2 (0.40) LMNASRCBRAFKDRPTGS1
SCHEMBL2559499 0.89 MAPT (0.37) PPP1CATRPV1CYP2C19IDO1TDO2
SCHEMBL15330556 0.89 NPC1 (0.44) LMNAPPP1CAPTGS2CYP2C19NPSR1
SCHEMBL15330467 0.88 POLB (0.43) POLBLMNAPPP1CATRPV1SRC
SCHEMBL29955286 0.87 NPC1 (0.39) POLBLMNAPPP1CACYP2C19NPSR1
SCHEMBL2560836 0.86 LMNA (0.49) POLBLMNASRCBRAFKDR
SCHEMBL15330588 0.86 POLB (0.52) POLBLMNASRCBRAFKDR

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