SCHEMBL24671090

SCHEMBL24671090

CCC(=O)Nc1cnn(C(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NAMPT P43490 1/20 0.45
PDGFRB P09619 2/20 0.45
FLT4 P35916 2/20 0.45
KDR P35968 2/20 0.45
FLT3 P36888 2/20 0.45
CSF1R P07333 1/20 0.45
CYP2C9 P11712 1/20 0.45
ACHE P22303 2/20 0.44
FPR2 P25090 2/20 0.44
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4287692 0.84 KMT2A (0.60) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL22773928 0.83 KMT2A (0.53) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL4293848 0.81 NPC1 (0.52) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL24669798 0.81 FPR2 (0.49) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL24669800 0.80 RAB9A (0.51) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL29757930 0.80 NPC1 (0.51) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL25020926 0.78 ALDH1A1 (0.73) KMT2ARAB9AMAPTALDH1A1HTT
SCHEMBL26789508 0.77 ALDH1A1 (0.49) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL29060753 0.76 POLB (0.57) KMT2ANPC1MAPTLMNAALDH1A1
SCHEMBL18309093 0.75 ACHE (0.60) KMT2ANPC1RAB9AMAPTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023224963-A1 DUAL-ACTING ANGIOTENSIN AND ENDOTHELIN RECEPTOR ANTAGONISTS ARIA PHARMACEUTICALS, INC. (US) 2023-11-23 WO disclosed
WO-2023220247-A1 LRRK2 INHIBITORS INTERLINE THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
WO-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed