SCHEMBL29951767

SCHEMBL29951767

CCCCNc1ccc(C=O)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.59
CNR2 P34972 1/20 0.48
TLR8 Q9NR97 2/20 0.44
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 1/20 0.41
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KDM6B O15054 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HDAC1 Q13547 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL29955270 0.90 HCAR3 (0.57) HCAR3CNR2HPGDSMN1; SMN2ALDH1A1
SCHEMBL19630947 0.82 HCAR3 (0.54) HCAR3HPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL3299277 0.79 ALDH1A1 (0.44) HCAR3ALDH1A1KDM4EGAAHDAC1
SCHEMBL6361877 0.79 CYP2C19 (0.53) HCAR3HPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL28782093 0.79 HCAR3 (0.60) HCAR3ALDH1A1KDM4E
SCHEMBL29953824 0.77 HCAR3 (0.41) HCAR3TLR8HRH4HDAC1L3MBTL1
SCHEMBL10604098 0.77 HCAR3 (0.59) HCAR3CNR2TLR8HPGDSMN1; SMN2
SCHEMBL22795638 0.76 RAB9A (0.61) HCAR3CNR2TLR8HPGDSMN1; SMN2
Bromide SCHEMBL10609035 0.76 HCAR3 (0.58) HCAR3CNR2TLR8HPGDSMN1; SMN2
SCHEMBL5493605 0.75 LMNA (0.43) HPGDSMN1; SMN2ALDH1A1RAB9ALMNA

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 1 patent. 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