SCHEMBL8897003

SCHEMBL8897003

CNc1ccccc1SSc1ccccc1NC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.48
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40

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
SCHEMBL8495606 0.84 ALDH1A1 (0.48) MAPTNPSR1KDM4EUSP2ALDH1A1
SCHEMBL6244315 0.84 L3MBTL1 (0.46) CETPMAPTNPSR1KDM4EUSP2
SCHEMBL12457090 0.81 APOBEC3G (0.59) CETPMAPTNPSR1KDM4EUSP2
SCHEMBL18684672 0.80 POLB (0.43) CETPMAPTNPSR1KDM4EUSP2
SCHEMBL24181427 0.77 POLB (0.42) CETPMAPTNPSR1KDM4EUSP2
SCHEMBL13374975 0.77 TDP1 (0.53) MAPTNPSR1KDM4EUSP2ALDH1A1
SCHEMBL16204250 0.77 ADRA2C (0.44) CETPMAPTNPSR1KDM4EUSP2
SCHEMBL14383870 0.77 ADRA2A (0.46) CETPMAPTNPSR1KDM4EUSP2
SCHEMBL29449705 0.76 POLB (0.60) MAPTNPSR1KDM4EUSP2ALDH1A1
SCHEMBL653948 0.76 POLB (0.60) MAPTNPSR1KDM4EUSP2ALDH1A1

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-5643872-A ANTIAGGLOMERANTS FOR PLATELETS, ANTICOAGULANTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-01 US disclosed
EP-0425212-A2 Cyclic anti-aggregatory peptides SMITHKLINE BEECHAM CORPORATION (US) 1991-05-02 EP disclosed