SCHEMBL5141230

SCHEMBL5141230

COc1ccccc1N1CCN(C(=O)C[n+]2csc(C)c2C)CC1.Cc1sc[n+](CC(=O)N2CCCCCCC2)c1C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
TSHR P16473 2/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ATM Q13315 1/20 0.52
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PKM P14618 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48

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
Bromide SCHEMBL5974838 0.98 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1TSHRPOLB
SCHEMBL5069507 0.96 TSHR (0.58) ALDH1A1KDM4ETDP1TSHRPOLB
Hydrochloric Acid SCHEMBL3851608 0.95 TSHR (0.57) ALDH1A1KDM4ETDP1TSHRPOLB
Bromide SCHEMBL7057614 0.81 HTR1A (0.43) ALDH1A1KDM4ETDP1TSHRPOLB
SCHEMBL5071137 0.81 LMNA (0.51) ALDH1A1TSHRPOLBSMN1; SMN2RAB9A
SCHEMBL5069524 0.81 LMNA (0.51) ALDH1A1TSHRPOLBSMN1; SMN2RAB9A
SCHEMBL5070436 0.81 LMNA (0.51) ALDH1A1TSHRPOLBSMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL5071101 0.80 LMNA (0.50) ALDH1A1TSHRPOLBSMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL5069533 0.80 LMNA (0.50) ALDH1A1TSHRPOLBSMN1; SMN2RAB9A
Bromide SCHEMBL3846115 0.80 LMNA (0.54) ALDH1A1TSHRPOLBSMN1; SMN2RAB9A

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-1128830-B1 REVERSING ADVANCED GLYCOSYLATION CROSS-LINKS USING HETEROCYCLIC-SUBSTITUTED THIAZOLIUM SALTS SYNVISTA THERAPEUTICS INC (US) 2008-03-12 EP claimed