SCHEMBL8196222

SCHEMBL8196222

CC(SSc1ccccn1)c1ccc(C(=O)OC(=N)CCC(=O)OC(=O)c2ccc(C(C)SSc3ccccn3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
HPGD P15428 6/20 0.37
MAPT P10636 4/20 0.37
RGS12 O14924 1/20 0.37
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 3/20 0.33
TP53 P04637 1/20 0.32
MEN1 O00255 2/20 0.32
TSHR P16473 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
EHMT1 Q9H9B1 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL16167268 0.78 LMNA (0.41) ALDH1A1HPGDMAPTPOLBLMNA
SCHEMBL1655486 0.78 LMNA (0.38) ALDH1A1HPGDMAPTRGS12POLB
SCHEMBL321112 0.78 LMNA (0.38) ALDH1A1HPGDMAPTRGS12POLB
SCHEMBL15544952 0.76 POLB (0.51) ALDH1A1HPGDMAPTPOLBLMNA
SCHEMBL16254246 0.75 EHMT2 (0.42) ALDH1A1HPGDMAPTPOLBLMNA
Bicarbonate SCHEMBL5534135 0.73 EHMT2 (0.48) ALDH1A1HPGDMAPTPOLBLMNA
SCHEMBL20072028 0.73 ALDH1A1 (0.42) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL29386113 0.73 MAPT (0.36) ALDH1A1HPGDMAPTRGS12POLB
SCHEMBL42875 0.73 MAPT (0.36) ALDH1A1HPGDMAPTRGS12POLB
SCHEMBL24196701 0.73 ALDH1A1 (0.35) ALDH1A1HPGDMAPTRGS12POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030846-A Homogeneous assays using avidin-binding azo reagents DADE BEHRING INC. (US) 2000-02-29 US disclosed
US-5536820-A Avidin-binding azo reagents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-07-16 US disclosed