SCHEMBL22902147

SCHEMBL22902147

CCc1cnn(-c2ccc(C(C)C)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
MTOR P42345 1/20 0.41
DRD4 P21917 5/20 0.39
DRD2 P14416 3/20 0.39
ESRRA P11474 3/20 0.38
HTR2C P28335 2/20 0.38
DRD3 P35462 2/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6532804 0.85 NPBWR1 (0.43) NOTUMMTORDRD4DRD2ESRRA
SCHEMBL9048864 0.83 DRD4 (0.52) NOTUMDRD4DRD2HTR2CDRD3
SCHEMBL16062853 0.81 RXRA (0.47) NOTUMDRD4DRD2DRD3NPBWR1
SCHEMBL22902068 0.80 NOTUM (0.50) NOTUMMTORESRRAMEN1ALDH1A1
SCHEMBL1754914 0.79 DRD2 (0.52) NOTUMMTORDRD4DRD2DRD3
SCHEMBL9608917 0.79 DRD4 (0.55) DRD4DRD2HTR2CDRD3KDM4E
SCHEMBL10235445 0.77 MELK (0.42) DRD4DRD2DRD3KDM4EMEN1
SCHEMBL12989371 0.77 MAPKAPK2 (0.48) DRD4DRD2DRD3NPBWR1MCHR1
SCHEMBL18666368 0.77 ALDH1A1 (0.38) DRD4DRD2HTR2CDRD3KDM4E
SCHEMBL24352271 0.76 NOTUM (0.46) NOTUMMTORESRRAHPGDSMN1; SMN2

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
EP-3766879-A1 PESTICIDAL PYRAZOLE DERIVATIVES BASF SE (DE) 2021-01-20 EP disclosed