SCHEMBL28268916

SCHEMBL28268916

NCCc1cn(Cc2ccccc2O)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.54
▸ HTR2A P28223 1/20 0.53
▸ POLB P06746 1/20 0.49
▸ HTR6 P50406 6/20 0.47
▸ PADI4 Q9UM07 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ CYP19A1 P11511 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 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
SCHEMBL28811759 0.82 HTR6 (0.59) TAAR1HTR2APOLBHTR6SCN9A
SCHEMBL9502361 0.82 CYP19A1 (0.57) TAAR1HTR2APOLBHTR6CYP19A1
SCHEMBL8758329 0.82 HTR2A (0.53) HTR2APOLBHTR6SCN9AHRH1
SCHEMBL4731450 0.80 POLB (0.68) HTR2APOLBHTR6PADI4HRH1
SCHEMBL31595698 0.80 POLB (0.68) HTR2APOLBHTR6PADI4HRH1
SCHEMBL7037223 0.80 HTR2A (0.60) HTR2APOLBHTR6PADI4SCN9A
SCHEMBL8758324 0.79 HTR6 (0.53) HTR2APOLBHTR6SCN9AHRH1
Hydrochloric Acid SCHEMBL7674266 0.79 POLB (0.67) HTR2APOLBHTR6PADI4HRH1
SCHEMBL15471747 0.78 POLB (0.62) HTR2APOLBHTR6PADI4HRH1
SCHEMBL7753094 0.77 HTR6 (0.69) HTR2APOLBHTR6HRH1CYP19A1

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
CN-109069516-A Small molecule for mouse satellite cell Proliferation 哈佛学院校长同事会 2018-12-21 — — CN disclosed
Send feedback