SCHEMBL30509271

SCHEMBL30509271

CN1CC(O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
PAX8 Q06710 1/20 0.40
GPR3 P46089 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
ACHE P22303 2/20 0.36
HTR2A P28223 2/20 0.36
LMNA P02545 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 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
SCHEMBL27903243 1.00 NOTUM (0.41) NOTUMMTNR1AMTNR1BPAX8GPR3
Anthraquinone SCHEMBL28092013 0.88 KMT2A (0.41) NOTUMMTNR1AMTNR1BGPR3LMNA
SCHEMBL12923931 0.80 KDM4C (0.40) NOTUMPAX8GPR3HDAC4HDAC7
SCHEMBL12923936 0.80 KDM4C (0.40) NOTUMPAX8GPR3HDAC4HDAC7
SCHEMBL2614632 0.80 KDM4C (0.40) NOTUMPAX8GPR3HDAC4HDAC7
SCHEMBL19719690 0.77 AVPR2 (0.43) ACHESIGMAR1
SCHEMBL2625781 0.77 NOTUM (0.55) NOTUMMTNR1AMTNR1BPAX8GPR3
SCHEMBL18681421 0.77 NOTUM (0.55) NOTUMMTNR1AMTNR1BPAX8GPR3
SCHEMBL13372442 0.77 NOTUM (0.55) NOTUMMTNR1AMTNR1BPAX8GPR3
SCHEMBL20723806 0.77 NOTUM (0.38) NOTUMHTR2ASLC6A2SLC6A4GRIN1

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-116559325-A Separation detection method for related substances in adrenal color hydrazone 江苏亚邦爱普森药业有限公司 2023-08-08 CN disclosed