SCHEMBL21861972

SCHEMBL21861972

CCCCCCCCCCCCC(CCC)Cc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.46
MAPT P10636 3/20 0.42
HTR2A P28223 1/20 0.42
BDKRB2 P30411 4/20 0.39
LMNA P02545 1/20 0.38
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SPHK1 Q9NYA1 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
S1PR2 O95136 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
SCHEMBL3703456 0.96 CSNK1E (0.49) CSNK1EMAPTHTR2ABDKRB2LMNA
SCHEMBL10074654 0.96 CSNK1E (0.49) CSNK1EMAPTHTR2ABDKRB2LMNA
SCHEMBL3703426 0.96 CSNK1E (0.49) CSNK1EMAPTHTR2ABDKRB2LMNA
SCHEMBL24185036 0.95 CSNK1E (0.47) CSNK1EMAPTHTR2ABDKRB2LMNA
SCHEMBL19503498 0.90 CSNK1E (0.46) CSNK1EMAPTHTR2ABDKRB2LMNA
SCHEMBL27513351 0.90 CSNK1E (0.46) CSNK1EMAPTHTR2ABDKRB2LMNA
SCHEMBL8099887 0.88 ALDH1A1 (0.47) CSNK1EMAPTHTR2ABDKRB2LMNA
SCHEMBL8095843 0.88 ALDH1A1 (0.47) CSNK1EMAPTHTR2ABDKRB2LMNA
SCHEMBL8086989 0.88 ALDH1A1 (0.47) CSNK1EMAPTHTR2ABDKRB2LMNA
SCHEMBL8093770 0.88 ALDH1A1 (0.47) CSNK1EMAPTHTR2ABDKRB2LMNA

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
EP-3623361-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS Novartis AG (CH) 2020-03-18 EP disclosed