SCHEMBL27540323

SCHEMBL27540323

CC(C(=O)Oc1ccncc1)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.54
PTGS2 P35354 1/20 0.47
HSD17B10 Q99714 1/20 0.44
CYP17A1 P05093 6/20 0.44
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ELANE P08246 1/20 0.42
MGLL Q99685 1/20 0.41
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2625475 0.82 ELANE (0.60) CYP19A1PTGS2HSD17B10LMNACYP1A2
SCHEMBL11262091 0.81 CYP19A1 (0.57) CYP19A1PTGS2CYP17A1LMNACYP2C19
SCHEMBL12896270 0.81 CYP19A1 (0.57) CYP19A1PTGS2CYP17A1LMNACYP2C19
SCHEMBL1401545 0.79 HSD17B10 (0.46) CYP19A1PTGS2HSD17B10LMNACYP1A2
SCHEMBL27566422 0.79 HSD17B10 (0.42) CYP19A1HSD17B10CYP17A1LMNACYP1A2
Bromide SCHEMBL27527962 0.78 HSD17B10 (0.44) CYP19A1PTGS2HSD17B10CYP17A1LMNA
SCHEMBL755729 0.78 CYP19A1 (0.54) CYP19A1CYP17A1LMNASMN1; SMN2
SCHEMBL1046956 0.77 L3MBTL1 (0.61) PTGS2LMNAELANEMGLL
SCHEMBL10029026 0.77 L3MBTL1 (0.61) PTGS2LMNAELANEMGLL
SCHEMBL2632833 0.76 HSD17B10 (0.43) CYP19A1HSD17B10LMNACYP1A2CYP2C9

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
CN-1310628-A Method for increasing the yield of animal meat BIOSTAR INC (CA) 2001-08-29 CN disclosed