SCHEMBL30043742

SCHEMBL30043742

N#CN1CCc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.52
MAOB P27338 2/20 0.52
USP30 Q70CQ3 1/20 0.48
NOTUM Q6P988 1/20 0.43
TMPRSS2 O15393 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PHGDH O43175 1/20 0.42
MGLL Q99685 1/20 0.42
MAPT P10636 1/20 0.42
TAAR1 Q96RJ0 1/20 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
SCHEMBL2327219 1.00 MAOA (0.52) MAOAMAOBUSP30NOTUMTMPRSS2
SCHEMBL22061852 0.84 CTSL (0.52) MAOAMAOBUSP30NOTUMMEN1
SCHEMBL14279432 0.79 MAOA (0.52) MAOAMAOBNOTUMTMPRSS2HTR1A
SCHEMBL969282 0.79 MAOA (0.52) MAOAMAOBNOTUMTMPRSS2HTR1A
SCHEMBL28634174 0.76 HTR2A (0.42) USP30NOTUMDRD2DRD3
SCHEMBL28632465 0.76 CARM1 (0.42) CYP2D6DRD2DRD3CTSLCTSB
SCHEMBL30043910 0.74 CTSL (0.39) USP30CTSLCTSBCTSKGRIN2D
SCHEMBL28619587 0.74 CTSL (0.39) USP30CTSLCTSBCTSKGRIN2D
SCHEMBL9705360 0.74 CTSL (0.47) KMT2ACTSLCTSBCTSKUSP7
SCHEMBL7699730 0.72 MAOA (0.44) MAOAMAOBNOTUMTMPRSS2HTR1A

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-113200912-B Method for synthesizing cyanamide 南昌大学 2022-12-06 CN disclosed