SCHEMBL6978701

SCHEMBL6978701

CC(=O)Nc1nc(NC(C)=O)nc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
ADORA3 P0DMS8 5/20 0.50
ADORA1 P30542 2/20 0.50
KMT2A Q03164 5/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 4/20 0.49
HPGD P15428 4/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
RXFP1 Q9HBX9 2/20 0.49
CYP2C19 P33261 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ADORA2A P29274 1/20 0.47
NAMPT P43490 1/20 0.45
PIK3CA P42336 2/20 0.44
PKM P14618 2/20 0.44

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
SCHEMBL6984930 0.91 TSHR (0.52) LMNAMAPK1GAAALOX15TSHR
SCHEMBL6985968 0.85 ADORA3 (0.63) LMNAMAPK1GAAALOX15TSHR
SCHEMBL6985588 0.78 LMNA (0.55) LMNAMAPK1GAAALOX15TSHR
SCHEMBL6982880 0.75 TPH1 (0.56) LMNAMAPK1GAAALOX15TSHR
SCHEMBL14534640 0.75 PKM (0.74) LMNAMAPK1GAATSHRKMT2A
SCHEMBL14123279 0.72 LMNA (0.55) LMNAMAPK1GAAALOX15TSHR
SCHEMBL3133857 0.70 TPH1 (0.60) LMNAMAPK1GAAALOX15TSHR
SCHEMBL10036893 0.70 MEN1 (0.58) LMNAGAAKMT2AMAPTMEN1
SCHEMBL6982568 0.70 ADORA3 (0.62) GAAALOX15TSHRADORA3ADORA1
(Phenylsulfonyl)Benzene SCHEMBL2381369 0.70 HTR6 (0.74) LMNAMAPK1GAATSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037886-B1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2003-05-02 EP claimed
US-6150362-A ADMINISTERING 1,3,5-SUBSTITUTED TRIAZINE COMPOUNDS TO THE PATIENT SUFFERING FROM ANGIOGENIC DISEASES ABBVIE INC. 2000-11-21 US claimed
EP-1037886-B1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2003-05-02 EP disclosed
US-6288228-B1 DIAMINOTRIAZINE DERIVATIVES ABBOTT LABORATORIES 2001-09-11 US disclosed
US-6150362-A ADMINISTERING 1,3,5-SUBSTITUTED TRIAZINE COMPOUNDS TO THE PATIENT SUFFERING FROM ANGIOGENIC DISEASES ABBVIE INC. 2000-11-21 US disclosed