SCHEMBL8864632

SCHEMBL8864632

Cn1nc(-c2ccc(F)cc2F)c2ccccc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
TSHR P16473 2/20 0.55
APAF1 O14727 1/20 0.55
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SMN1; SMN2 Q16637 6/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49
THRB P10828 1/20 0.49
PKM P14618 1/20 0.49
BLM P54132 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 3/20 0.49
TBXAS1 P24557 1/20 0.47
HTT P42858 3/20 0.46
NR2F2 P24468 1/20 0.45

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
SCHEMBL1787207 0.83 MAPK13 (0.41) KDM4ETSHRAPAF1HSP90AA1HSP90AB1
SCHEMBL29382447 0.79 SMN1; SMN2 (0.70) KDM4EL3MBTL1SMN1; SMN2ALDH1A1POLB
SCHEMBL8865179 0.72 HPGD (0.53) SMN1; SMN2ALDH1A1POLBTDP1HPGD
SCHEMBL8224982 0.72 HPGD (0.74) KDM4EL3MBTL1SMN1; SMN2ALDH1A1POLB
SCHEMBL20074822 0.71 SLC34A1 (0.42) TP53MAPTMEN1GAAKMT2A
SCHEMBL1785262 0.71 ROCK1 (0.55) KDM4ETSHRSMN1; SMN2ALDH1A1POLB
SCHEMBL13184428 0.69 SLC34A1 (0.53) KDM4EALDH1A1POLBTHRBPKM
SCHEMBL20074778 0.69 SLC34A1 (0.41) ALDH1A1BRD4
SCHEMBL31617643 0.69 SLC34A1 (0.42) KDM4EPOLBPKMHTTMEN1
SCHEMBL25208830 0.69 MAPK14 (0.40) ALDH1A1BRD4

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
US-5667931-A THERMAL RESISTANCE, RESOLUTION, PHOTOSENSITIVITY KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 1997-09-16 US disclosed
US-5624922-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1997-04-29 US disclosed
EP-0597540-B1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC (US) 1996-06-05 EP disclosed
US-5380721-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0597540-A1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1994-05-18 EP disclosed