SCHEMBL2563583

SCHEMBL2563583

CC1CCCN(c2nc(B(O)O)cs2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DNM1L O00429 1/20 0.39
MAPT P10636 5/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAP4K4 O95819 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
TLR7 Q9NYK1 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
SCHEMBL2559694 0.82 SMN1; SMN2 (0.41) ALDH1A1KDM4ENPC1HPGDTSHR
SCHEMBL10136897 0.80 L3MBTL1 (0.49) ALDH1A1KDM4ENPC1HPGDTSHR
SCHEMBL21875372 0.75 LMNA (0.47) ALDH1A1KDM4ENPC1HPGDTSHR
SCHEMBL10091760 0.75 SMN1; SMN2 (0.36) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL19051356 0.74 SMN1; SMN2 (0.50) ALDH1A1KDM4ENPC1HPGDTSHR
SCHEMBL2557518 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL10091763 0.73 ALDH1A1 (0.49) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL18997368 0.73 TYR (0.50) ALDH1A1KDM4ENPC1HPGDTSHR
SCHEMBL17014732 0.73 TYR (0.50) ALDH1A1KDM4ENPC1HPGDTSHR
SCHEMBL2559110 0.72 MAP4K4 (0.49) ALDH1A1KDM4ENPC1HPGDTSHR

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