SCHEMBL28811759

SCHEMBL28811759

NCCc1cn(Cc2ccccc2Br)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 9/20 0.59
▸ CYP19A1 P11511 2/20 0.57
▸ TAAR1 Q96RJ0 1/20 0.54
▸ HTR2A P28223 1/20 0.53
▸ POLB P06746 1/20 0.46
▸ FNTA P49354 1/20 0.45
▸ FNTB P49356 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ SCN9A Q15858 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ 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
SCHEMBL8758329 0.82 HTR2A (0.53) HTR6CYP19A1HTR2APOLBSCN9A
SCHEMBL9502361 0.82 CYP19A1 (0.57) HTR6CYP19A1TAAR1HTR2APOLB
SCHEMBL28268916 0.82 TAAR1 (0.54) HTR6CYP19A1TAAR1HTR2APOLB
SCHEMBL3253620 0.82 HTR6 (0.69) HTR6CYP19A1TAAR1FNTAFNTB
SCHEMBL31595698 0.80 POLB (0.68) HTR6CYP19A1HTR2APOLBHRH1
SCHEMBL4731450 0.80 POLB (0.68) HTR6CYP19A1HTR2APOLBHRH1
SCHEMBL3251276 0.80 HTR6 (0.66) HTR6CYP19A1FNTAFNTBCNR2
SCHEMBL24142953 0.79 CYP19A1 (0.47) HTR6CYP19A1TAAR1HTR2AFNTA
SCHEMBL8758324 0.79 HTR6 (0.53) HTR6HTR2APOLBSCN9AHRH1
Hydrochloric Acid SCHEMBL7674266 0.79 POLB (0.67) HTR6CYP19A1HTR2APOLBHRH1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853820-A Ferrocene and camphorsulfonic acid composite derivative, preparation method thereof and application thereof in catalyzing asymmetric P-S reaction 江苏医药职业学院 2022-08-05 — — CN claimed
CN-114853820-B Ferrocene and camphorsulfonic acid composite derivative, preparation method thereof and application thereof in catalyzing asymmetric P-S reaction 江苏医药职业学院 2023-12-15 — — CN disclosed
CN-114853820-A Ferrocene and camphorsulfonic acid composite derivative, preparation method thereof and application thereof in catalyzing asymmetric P-S reaction 江苏医药职业学院 2022-08-05 — — CN disclosed
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