SCHEMBL27583736

SCHEMBL27583736

O=[SH](=O)OCCCN1CCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.60
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ USP2 O75604 1/20 0.60
▸ CDK4 P11802 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ CCND1 P24385 1/20 0.60
▸ MAPT P10636 4/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ LMNA P02545 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ PTK2B Q14289 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ CHRM2 P08172 3/20 0.41
▸ CHRM4 P08173 3/20 0.41
▸ CHRM1 P11229 3/20 0.41

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
SCHEMBL27580610 0.92 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7958648 0.78 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL28580926 0.78 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7940135 0.77 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL28058027 0.77 HTR5A (0.59) ALDH1A1MEN1KMT2AKDM4ETDP1
Iodide SCHEMBL25336773 0.76 MEN1 (0.56) ALDH1A1MEN1KMT2AUSP2CDK4
Hydrochloric Acid SCHEMBL9451439 0.76 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL4532583 0.75 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL31186642 0.75 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL14881174 0.75 MAPT (0.58) ALDH1A1MEN1KMT2AUSP2CDK4

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-1523992-A Compositions and methods for treating amyloidosis ʺ��ѧ 2004-08-25 — — CN claimed
Send feedback