SCHEMBL22564080

SCHEMBL22564080

C=C(CC(N)S)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.48
MAOB P27338 6/20 0.48
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
XBP1 P17861 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL5797559 0.76 ALPI (0.50) MAOAMAOBTSHR
SCHEMBL5925036 0.76 ALPI (0.50) MAOAMAOBTSHR
Hydrochloric Acid SCHEMBL2480215 0.76 MAOA (0.48) MAOAMAOBLMNAMAPTSMN1; SMN2
SCHEMBL8647606 0.76 MAOA (0.48) MAOAMAOBLMNAMAPTSMN1; SMN2
SCHEMBL22562977 0.75 ALDH1A1 (0.37) MAOAMAOBMAPTSMN1; SMN2ALDH1A1
SCHEMBL535991 0.74 MAOA (0.47) MAOAMAOBLMNAMAPTSMN1; SMN2
SCHEMBL18774257 0.73 MAPT (0.42) MAOAMAOBLMNAMAPTSMN1; SMN2
SCHEMBL7055858 0.72 MAOA (0.45) MAOAMAOBLMNAMAPTSMN1; SMN2
SCHEMBL5924980 0.72 TSHR (0.50) MAOAMAOBLMNAMAPTSMN1; SMN2
SCHEMBL24063980 0.71 MAOA (0.44) MAOAMAOBLMNAMAPTSMN1; SMN2

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-3170493-B1 FREEZE-DRIED PREPARATION CONTAINING HIGH-PURITY PTH AND METHOD FOR PRODUCING SAME ASAHI KASEI PHARMA CORP (JP) 2020-10-21 EP disclosed