SCHEMBL11558484

SCHEMBL11558484

O=C(CCl)N1c2cc(O)ccc2OCC1CNC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
LMNA P02545 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RORC P51449 4/20 0.33
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
CSF1R P07333 1/20 0.32
AIMP2 Q13155 1/20 0.31
NR3C1 P04150 1/20 0.31
NR3C2 P08235 1/20 0.31
NQO2 P16083 1/20 0.30

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
SCHEMBL11554982 0.90 NR3C1 (0.40) PDK1PDK2PDK3PDK4LMNA
SCHEMBL11556914 0.90 NPC1 (0.39) PDK1PDK2PDK3PDK4LMNA
SCHEMBL11557128 0.89 SMN1; SMN2 (0.39) PDK1PDK2PDK3PDK4LMNA
SCHEMBL11556509 0.89 LMNA (0.42) PDK1PDK2PDK3PDK4LMNA
SCHEMBL11559600 0.88 LMNA (0.40) PDK1PDK2PDK3PDK4LMNA
SCHEMBL11562119 0.86 MTNR1A (0.45) NQO2MTNR1AMTNR1B
SCHEMBL11556804 0.86 NPC1 (0.55) PDK1PDK2PDK3PDK4LMNA
SCHEMBL11558572 0.85 RORC (0.44) LMNANPC1RAB9ANPSR1TP53
SCHEMBL11553954 0.85 RORC (0.39) PDK1PDK2PDK3PDK4LMNA
SCHEMBL11560505 0.84 RORC (0.40) LMNANPC1RAB9ANPSR1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4169931-A PROCESS FOR THE PREPARATION OF (THIO)HYDANTOINS SUBSTITUTED WITH AMIDE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1979-10-02 US disclosed
US-4134974-A Imidazo[5,1-c][1,4]benzoxazin-1-one CARLO ERBA S. P. A. (IT) 1979-01-16 US disclosed