SCHEMBL9685065

SCHEMBL9685065

c1ccc(Sc2c(CN3CCCC3)[nH]c3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CHRNA7 P36544 2/20 0.48
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DRD2 P14416 4/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 2/20 0.43
JAK2 O60674 1/20 0.43
RAB9A P51151 1/20 0.43
TUBB4A P04350 3/20 0.42
TUBB P07437 3/20 0.42
TUBA3C P0DPH7 3/20 0.42
TUBA1B P68363 3/20 0.42

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
SCHEMBL9684170 0.88 MEN1 (0.51) MEN1KMT2ALMNASMN1; SMN2L3MBTL1
SCHEMBL3835784 0.85 ACHE (0.43) MEN1KMT2ACHRNA7LMNASMN1; SMN2
SCHEMBL8938377 0.76 MEN1 (0.62) MEN1KMT2ALMNASMN1; SMN2L3MBTL1
SCHEMBL8938380 0.75 MEN1 (0.61) MEN1KMT2ALMNASMN1; SMN2L3MBTL1
SCHEMBL10067337 0.74 CHRNA7 (0.56) MEN1KMT2ACHRNA7LMNASMN1; SMN2
SCHEMBL28455949 0.72 MEN1 (0.58) MEN1KMT2ALMNASMN1; SMN2L3MBTL1
SCHEMBL10067334 0.70 DRD2 (0.51) KMT2ACHRNA7LMNADRD2DRD4
SCHEMBL3096663 0.69 KMT2A (0.52) MEN1KMT2ACHRNA7LMNASMN1; SMN2
SCHEMBL8938441 0.69 MEN1 (0.54) MEN1KMT2ALMNASMN1; SMN2L3MBTL1
SCHEMBL2343474 0.69 TUBB4A (0.57) MEN1KMT2AKDM4ETUBB4ATUBB

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
US-5124327-A Administering in the prevention and treatment of AIDS MERCK & CO., INC. (US) 1992-06-23 US disclosed