SCHEMBL1399271

SCHEMBL1399271

CNCc1ccccc1Sc1c[nH]c2c(OC)cccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IFNAR1 P17181 1/20 0.54
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
HTR2A P28223 1/20 0.46
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR6 P50406 1/20 0.44
DYRK1A Q13627 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
IDO1 P14902 4/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 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
SCHEMBL4390799 0.88 MTNR1A (0.49) IFNAR1KMT2AHTR2ALMNAHTR6
SCHEMBL1399196 0.87 IDO1 (0.48) IFNAR1HTR2AHTR6DYRK1AMTNR1A
SCHEMBL1399179 0.85 IDO1 (0.48) IFNAR1HTR2AHTR6DYRK1AMTNR1A
SCHEMBL1399259 0.85 IDO1 (0.48) IFNAR1HTR2AHTR6DYRK1AMTNR1A
SCHEMBL1399266 0.84 KMT2A (0.49) IFNAR1KMT2AMEN1POLBLMNA
SCHEMBL1399400 0.84 IFNAR1 (0.58) IFNAR1KMT2AMEN1POLBLMNA
SCHEMBL1399380 0.84 IFNAR1 (0.58) IFNAR1KMT2AMEN1POLBHTR2A
SCHEMBL1399218 0.83 HTR2A (0.66) KMT2AHTR2ASMN1; SMN2HTR6DYRK1A
SCHEMBL1399180 0.83 LMNA (0.53) HTR2ALMNASMN1; SMN2HTR6DYRK1A
SCHEMBL1399267 0.82 IFNAR1 (0.57) IFNAR1KMT2AMEN1POLBHTR2A

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-1860100-B1 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI LUNDBECK & CO AS H (DK) 2011-03-02 EP claimed