SCHEMBL8995833

SCHEMBL8995833

CCCCCc1ncncc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 1/20 0.33
RARB P10826 1/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 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
SCHEMBL7995657 0.79
SCHEMBL30208751 0.79
SCHEMBL1555530 0.78 TDP1 (0.39) TDP1L3MBTL1KCNH2RARBRAB9A
SCHEMBL38650645 0.76 TDP1 (0.37) TDP1L3MBTL1KCNH2RARBRAB9A
SCHEMBL7104060 0.76 TDP1 (0.37) TDP1L3MBTL1KCNH2RAB9ASMN1; SMN2
SCHEMBL20104252 0.74 TDP1 (0.41) TDP1L3MBTL1KCNH2HRH3TBXAS1
SCHEMBL24271258 0.73 TDP1 (0.35) TDP1L3MBTL1RAB9ASMN1; SMN2MEN1
SCHEMBL15639197 0.72 TDP1 (0.49) TDP1L3MBTL1KCNH2KDM4EUSP2
SCHEMBL27639982 0.72 TDP1 (0.37) TDP1L3MBTL1KCNH2MEN1KMT2A
SCHEMBL5206299 0.72 RARB (0.46) TDP1L3MBTL1RARBRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5554617-A Method for treating cancer with 6-aryl pyrimidine compounds THE UPJOHN COMPANY (US) 1996-09-10 US disclosed
US-5434157-A Active against herpes, hepatitis, papovavirus THE UPJOHN COMPANY (US) 1995-07-18 US disclosed
US-5002951-A 2-amino-5-halo-4-pyrimidinol for bactericides and antiprotozoa agent THE UPJOHN COMPANY (US) 1991-03-26 US disclosed
US-4665077-A IMMUNOREGULATORY AGENTS THE UPJOHN COMPANY (US) 1987-05-12 US disclosed
US-4619933-A 6-aryl pyrimidines for treating aplastic anemia THE UPJOHN COMPANY (US) 1986-10-28 US disclosed
US-4543248-A Method for immunoregulation with 6-aryl pyrimidine compounds THE UPJOHN COMPANY (US) 1985-09-24 US disclosed
US-4507302-A Method for treating arthritis with 6-aryl pyrimidine compounds THE UPJOHN COMPANY (US) 1985-03-26 US disclosed