SCHEMBL9516562

SCHEMBL9516562

CC(=O)Cc1ccc(CC2NCCS2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
FAAH O00519 1/20 0.36
MAPT P10636 1/20 0.32
CYP2D6 P10635 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC2A1 P11166 1/20 0.31

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
SCHEMBL228875 0.75 POLB (0.44) POLBFAAH
SCHEMBL16787788 0.70 GBA1 (0.56) POLBSMN1; SMN2ALDH1A1
SCHEMBL8403545 0.70 POLB (0.61) POLBLMNAALDH1A1KMT2A
SCHEMBL6814764 0.67 POLB (0.51) POLBFAAH
SCHEMBL9516553 0.65 MAPT (0.65) MAPTSMN1; SMN2LMNAHIF1AMEN1
SCHEMBL10775630 0.64 POLB (0.55) POLBALDH1A1KMT2A
SCHEMBL4573389 0.63 POLB (0.46) POLBMAPTLMNAALDH1A1CYP2C9
SCHEMBL8277240 0.62 CA2 (0.62) POLBMAPTLMNAHIF1AMEN1
SCHEMBL5536012 0.62 POLB (0.53) POLBLMNAALDH1A1KMT2A
SCHEMBL4455 0.62 CA2 (0.62) POLBLMNAALDH1A1

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-0236624-B1 SUBSTITUTED PHENYL ETHANOL AMINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1993-08-11 EP disclosed