SCHEMBL9118967

SCHEMBL9118967

COC(=O)c1cccnc1-c1ccc(CCl)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
PKM P14618 2/20 0.47
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
BDKRB1 P46663 5/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
FAAH O00519 1/20 0.43
MAP2K1 Q02750 1/20 0.43
METAP2 P50579 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CNR2 P34972 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALOX5AP P20292 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL9119779 0.87 PKM (0.48) L3MBTL1PKMALDH1A1MAPTHTT
SCHEMBL6924337 0.84 SLC6A4 (0.59) L3MBTL1PKMALDH1A1MAPTSMN1; SMN2
SCHEMBL14564455 0.82 TRPV1 (0.50) L3MBTL1PKMALDH1A1MAPTSMN1; SMN2
SCHEMBL7649536 0.82 TDP1 (0.59) L3MBTL1PKMALDH1A1MAPTSMN1; SMN2
SCHEMBL16547427 0.81 SLC6A3 (0.57) L3MBTL1PKMALDH1A1MAPTSMN1; SMN2
SCHEMBL5412400 0.81 SLC6A4 (0.59) L3MBTL1PKMALDH1A1HTTSMN1; SMN2
SCHEMBL812065 0.80 KDM4E (0.59) L3MBTL1PKMALDH1A1HTTTDP1
SCHEMBL4206899 0.78 TRPV1 (0.54) TDP1METAP2
SCHEMBL28797930 0.77 TRPV1 (0.58) ALDH1A1MAPTTDP1METAP2KDM4E
SCHEMBL9118970 0.77 TDP1 (0.47) L3MBTL1PKMALDH1A1MAPTHTT

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
US-5451583-A Angiotensin inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1995-09-19 US disclosed
WO-1994011365-A1 SUBSTITUTED BENZIMIDAZOLES AND QUINAZOLINES AS ANTIHYPERTENSIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1994-05-26 WO disclosed
US-5283242-A Hypotensive agents, cardiotonic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1994-02-01 US disclosed