SCHEMBL11530768

SCHEMBL11530768

CCOC(=O)C(C)C(=O)c1ccnnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.44
ACACB O00763 1/20 0.39
PIK3CD O00329 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
NLRP3 Q96P20 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TBXA2R P21731 4/20 0.35
TBXAS1 P24557 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PSMB5 P28074 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4865510 0.82 KMT2A (0.46) MEN1KMT2ACYP1A2SMN1; SMN2ALDH1A1
SCHEMBL18073966 0.80 L3MBTL1 (0.51) HCAR2MEN1KMT2AGAASMN1; SMN2
SCHEMBL501752 0.78 HCAR2 (0.52) HCAR2NPC1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL10658137 0.78 KMT2A (0.49) MEN1KMT2ACYP1A2CYP2C9HIF1A
SCHEMBL27770142 0.77 CA12 (0.50) HCAR2NPC1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL8019028 0.76 HCAR2 (0.57) HCAR2PIK3CDCYP1A2GAATBXA2R
SCHEMBL11529854 0.76 CYP2C9 (0.42) HCAR2ACACBMEN1KMT2ANPC1
SCHEMBL5866532 0.75 KMT2A (0.57) MEN1KMT2ANPC1SMN1; SMN2ALDH1A1
SCHEMBL28119887 0.75 LMNA (0.47) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL27929947 0.73 HCAR2 (0.46) HCAR2MEN1KMT2ACYP1A2GAA

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
US-4144339-A TREATMENT OF BILHARZIASIS RHONE-POULENC INDUSTRIES (FR) 1979-03-13 US disclosed
US-4138487-A NEMATOCIDES RHONE-POULENC INDUSTRIES (FR) 1979-02-06 US disclosed
US-4110450-A BILHARZIASIS RHONE-POULENC INDUSTRIES (FR) 1978-08-29 US disclosed