SCHEMBL9502361

SCHEMBL9502361

NCCc1cn(Cc2ccccc2Cl)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.57
▸ GAA P10253 2/20 0.56
▸ GFER P55789 1/20 0.56
▸ TAAR1 Q96RJ0 1/20 0.54
▸ MAPT P10636 3/20 0.54
▸ TP53 P04637 1/20 0.54
▸ HTR2A P28223 1/20 0.53
▸ HTR6 P50406 5/20 0.50
▸ POLB P06746 1/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MGAM O43451 1/20 0.48
▸ SI P14410 1/20 0.48
▸ MGAM2 Q2M2H8 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL7752748 0.87 HTR2A (0.51) CYP19A1TAAR1MAPTHTR2AHTR6
SCHEMBL31595698 0.83 POLB (0.68) CYP19A1HTR2AHTR6POLBALDH1A1
SCHEMBL4731450 0.83 POLB (0.68) CYP19A1HTR2AHTR6POLBALDH1A1
SCHEMBL6706751 0.83 CYP19A1 (0.65) CYP19A1GAAGFERMAPTTP53
SCHEMBL28811759 0.82 HTR6 (0.59) CYP19A1TAAR1HTR2AHTR6POLB
SCHEMBL28268916 0.82 TAAR1 (0.54) CYP19A1TAAR1HTR2AHTR6POLB
SCHEMBL8758329 0.82 HTR2A (0.53) CYP19A1GAAMAPTTP53HTR2A
SCHEMBL7753094 0.82 HTR6 (0.69) CYP19A1MAPTHTR2AHTR6POLB
Hydrochloric Acid SCHEMBL7674266 0.82 POLB (0.67) CYP19A1HTR2AHTR6POLBALDH1A1
Hydrochloric Acid SCHEMBL8986547 0.81 HTR6 (0.67) CYP19A1HTR2AHTR6POLBKMT2A

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
US-5229505-A CNS and cardiovascular effects LABORATOIRES UPSA (FR) 1993-07-20 — — US disclosed
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