SCHEMBL11409704

SCHEMBL11409704

COC(=O)C(=Nc1cccc(C)c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
POLB P06746 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL26325448 0.86 TSHR (0.48) CRHR1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL31285548 0.86 TSHR (0.48) CRHR1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11423946 0.86 SMN1; SMN2 (0.53) CRHR1SMN1; SMN2HTR3EHTR3BHTR3A
SCHEMBL11416362 0.84 HTR3E (0.51) CRHR1SMN1; SMN2HTR3EHTR3BHTR3A
SCHEMBL11404995 0.83 RAB9A (0.46) SMN1; SMN2POLBMEN1KMT2AMAPT
SCHEMBL10966244 0.78 TSHR (0.41) CRHR1SMN1; SMN2HTR3EHTR3BHTR3A
SCHEMBL28524112 0.76 CES2 (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL26325451 0.76 CES2 (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9019938 0.74 HDAC8 (0.49) SMN1; SMN2POLBMEN1KMT2AKCNK3
SCHEMBL11404997 0.74 TSHR (0.43) SMN1; SMN2ESR1ESR2POLBMEN1

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
US-4230727-A N-BENZYLIDENEANILINE AND DERIVATIVES WILLIAM H. RORER, INC. (US) 1980-10-28 US disclosed
US-4187317-A Sunscreen and erythema treating with N-benzylidene anilenes WILLIAM H. RORER, INC. (US) 1980-02-05 US disclosed