SCHEMBL9867723

SCHEMBL9867723

O=C1CC2CCc3cc(O)ccc3C2=NN1c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 9/20 0.43
PDCD1 Q15116 7/20 0.43
MIF P14174 1/20 0.41
ESR2 Q92731 2/20 0.38
CYP19A1 P11511 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
GRM7 Q14831 1/20 0.37
CYP26A1 O43174 3/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL9868353 0.85 SLC11A2 (0.49) CD274PDCD1CYP19A1GRM7
SCHEMBL10366227 0.83 CD274 (0.50) CD274PDCD1GRM7
SCHEMBL9866418 0.81 HSP90AA1 (0.39) MIFESR2CYP19A1CYP26A1ESR1
SCHEMBL9865424 0.79 MIF (0.40) MIFESR2CYP19A1CYP26A1ESR1
SCHEMBL10367579 0.79 PRKCZ (0.41) ESR2CYP19A1CYP26A1ESR1
SCHEMBL9866508 0.79 HTR1A (0.43) CD274PDCD1BCHEACHE
SCHEMBL9864910 0.78 L3MBTL1 (0.38) ESR2CYP19A1CYP26A1ESR1
SCHEMBL9865443 0.78 MAPT (0.43) MIFBCHEACHE
SCHEMBL9865351 0.76 HTR1A (0.53)
Hydrochloric Acid SCHEMBL10445023 0.75 HTR1A (0.51)

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-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed