SCHEMBL8945077

SCHEMBL8945077

Cc1ccc2onc(OCC(N)CO)c2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
TP53 P04637 3/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.36
FAAH O00519 2/20 0.35
MGLL Q99685 1/20 0.35
HTR2C P28335 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 1/20 0.33
S1PR1 P21453 1/20 0.33

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
Hydrochloric Acid SCHEMBL8944982 0.99 MAPT (0.42) MAPTTP53POLBLMNAFAAH
SCHEMBL8945050 0.86 KCNA5 (0.37) MAPTTP53POLBLMNAHTT
SCHEMBL8945166 0.86 MAPT (0.39) MAPTTP53POLBLMNAFAAH
SCHEMBL8945066 0.84 FAAH (0.48) MAPTTP53FAAHMGLLKMT2A
SCHEMBL8945083 0.84 FAAH (0.33) FAAHMGLLS1PR1
Hydrochloric Acid SCHEMBL8945297 0.83 FAAH (0.47) MAPTTP53FAAHMGLLKMT2A
Hydrochloric Acid SCHEMBL8945101 0.80 FAAH (0.49) TP53LMNAFAAHMGLLMEN1
SCHEMBL5617540 0.76 MAPT (0.44) MAPTTP53POLBLMNAFAAH
SCHEMBL2968296 0.76 MAPT (0.47) MAPTTP53POLBLMNAFAAH
Hydrochloric Acid SCHEMBL8945078 0.75 ESR1 (0.41) POLBFAAHMGLL

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-5578627-A FOR TREATING CEREBRAL CIRCULATORY DISORDER, HEAD INJURY SEQUELAE AND/OR EPILEPSY TOYAMA CHEMICAL CO., LTD. (JP) 1996-11-26 US disclosed
EP-0665226-A1 NOVEL 1,2-BENZISOXAZOLE DERIVATIVE OR SALT THEREOF, AND BRAIN PROTECTIVE AGENT COMPRISING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 1995-08-02 EP disclosed