SCHEMBL8823116

SCHEMBL8823116

Cn1c(-c2ccccc2)nc(C(=O)O)c1-c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.54
MDM2 Q00987 5/20 0.47
KMT2A Q03164 2/20 0.47
DHODH Q02127 2/20 0.46
PTGER1 P34995 1/20 0.45
P2RX7 Q99572 2/20 0.41
CYP2A6 P11509 1/20 0.41
PIN1 Q13526 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL8823098 0.84 GABRA2 (0.51) HSD11B1
SCHEMBL274962 0.81 HSD11B1 (0.58) HSD11B1KMT2APTGER1CYP2A6
SCHEMBL8823114 0.80 ALDH1A1 (0.49) MDM2KMT2AMEN1
SCHEMBL19356980 0.79 HSD11B1 (0.53) HSD11B1KMT2AMEN1
SCHEMBL8823172 0.79 KDM4E (0.50) HSD11B1MDM2KMT2A
SCHEMBL8823133 0.79 HSD11B1 (0.52) HSD11B1KMT2ADHODHPTGER1P2RX7
SCHEMBL27548634 0.78 HSD11B1 (0.46) HSD11B1KMT2ADHODHP2RX7
SCHEMBL27508406 0.76 HSD11B1 (0.49) HSD11B1KMT2ADHODHPTGER1CYP2A6
SCHEMBL8823047 0.75 ALDH1A1 (0.52) KMT2AMEN1
SCHEMBL13499115 0.75 KMT2A (0.47) HSD11B1KMT2AMEN1

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
CN-1153172-A Azole derivatives, their use, production and usage NIHON NOHYAKU CO LTD (JP) 1997-07-02 CN disclosed
EP-0761658-A1 Azole-phenyl urea derivatives as ACAT inhibitors and their production NIHON NOHYAKU CO., LTD. (JP) 1997-03-12 EP disclosed