SCHEMBL6996505

SCHEMBL6996505

CCOC(=O)c1c(N)sc2c1CCN(C(C)C)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.62
MAPT P10636 12/20 0.61
ALDH1A1 P00352 10/20 0.61
GAA P10253 9/20 0.61
HPGD P15428 8/20 0.61
KDM4E B2RXH2 6/20 0.61
HSD17B10 Q99714 3/20 0.61
ALOX15 P16050 2/20 0.61
MAPK1 P28482 1/20 0.61
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
LMNA P02545 3/20 0.60
POLB P06746 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
TSHR P16473 1/20 0.55
ALOX12 P18054 1/20 0.55
RXFP1 Q9HBX9 2/20 0.50
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL4504119 0.84 ALDH1A1 (0.67) ADORA1MAPTALDH1A1GAAHPGD
SCHEMBL6993930 0.82 MAPT (0.72) ADORA1MAPTALDH1A1GAAHPGD
SCHEMBL970355 0.82 ADORA1 (0.83) ADORA1MAPTALDH1A1GAAHPGD
SCHEMBL10856502 0.82 ALDH1A1 (0.68) ADORA1MAPTALDH1A1GAAHPGD
SCHEMBL6997953 0.81 ADORA1 (0.73) ADORA1MAPTALDH1A1GAAHPGD
SCHEMBL19475087 0.81 ADORA1 (0.73) ADORA1MAPTALDH1A1GAAHPGD
SCHEMBL22392250 0.80 MAPT (0.66) ADORA1MAPTALDH1A1GAAHPGD
SCHEMBL10859421 0.79 ADORA1 (0.69) ADORA1MAPTALDH1A1GAAHPGD
SCHEMBL10856142 0.78 ADORA1 (0.72) ADORA1MAPTALDH1A1GAAHPGD
SCHEMBL17296424 0.78 MAPT (0.66) ADORA1MAPTALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927184-B1 3-SUBSTITUTED PYRIDO 4',3':4,5]THIENO 2,3-D]PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE ABBOTT GMBH & CO KG (DE) 2003-10-22 EP disclosed
US-6387912-B1 STROKE THERAPY BASF AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6222034-B1 AS SEROTININ RECEPTOR ANTAGONISTS; FOR THERAPY OF DEPRESSION, CENTRAL NERVOUS SYSTEM DISORDERS BASF AKTIENGESELLSCHAFT (DE) 2001-04-24 US disclosed