SCHEMBL2554929

SCHEMBL2554929

CC1CCCN(c2cnc(B(O)O)cn2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.45
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 5/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAP4K4 O95819 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
JAK3 P52333 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GRM4 Q14833 1/20 0.36
LRRK2 Q5S007 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL2556957 0.82 MAPT (0.44) RAB9ASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL10136907 0.80 ADRA1A (0.46) ADRA1ARAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29958150 0.80 UBE2T (0.45) SMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL29952578 0.78 UBE2T (0.44) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL14642618 0.77 RAB9A (0.45) ADRA1ARAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2559110 0.76 MAP4K4 (0.49) ADRA1ARAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL13658000 0.75 ADRA1A (0.43) ADRA1ARAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL14177933 0.73 CYP11B2 (0.49) KDM4EMAP4K4RXFP1KMT2A
SCHEMBL2553324 0.72 CHRM4 (0.40) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD
SCHEMBL15332124 0.72 HRH4 (0.45) RAB9ASMN1; SMN2

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