SCHEMBL2559574

SCHEMBL2559574

Cc1ccccc1-n1nc(C(F)(F)F)c(C=O)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 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
SCHEMBL15332333 0.88 MAPK14 (0.38) HTTKMT2AALDH1A1KDM4ENPSR1
SCHEMBL2559493 0.86 RXRA (0.40) CYP1A2CYP2D6KMT2AALDH1A1KDM4E
SCHEMBL2563102 0.85 GAA (0.38) CYP1A2CYP2D6KMT2ACYP2C9CYP2C19
SCHEMBL15331299 0.81 HTT (0.46) HTTKMT2AALDH1A1KDM4ENPSR1
SCHEMBL3381554 0.80 SMN1; SMN2 (0.43) CYP1A2CYP2D6ALDH1A1NPSR1MAPT
SCHEMBL2561012 0.78 KMT2A (0.35) HTTKMT2AALDH1A1KDM4ENPSR1
SCHEMBL15333007 0.78 PTGS2 (0.42) CYP1A2CYP2D6ALDH1A1KDM4ENPSR1
SCHEMBL15330129 0.77 NPSR1 (0.38) ADORA1HTTKMT2AALDH1A1KDM4E
SCHEMBL15330583 0.77 KMT2A (0.36) HTTKMT2AALDH1A1KDM4ENPSR1
SCHEMBL15332309 0.76 LMNA (0.45) KMT2AALDH1A1KDM4EMAPTNPC1

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