SCHEMBL7818540

SCHEMBL7818540

CC1c2ccccc2CCN1c1nc(Nc2ccc(F)cc2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.54
MAPK1 P28482 5/20 0.54
HPGD P15428 4/20 0.54
KDM4E B2RXH2 4/20 0.54
TSHR P16473 2/20 0.54
SOS2 Q07890 1/20 0.47
MAPT P10636 7/20 0.47
GAA P10253 3/20 0.47
RAD52 P43351 2/20 0.47
MERTK Q12866 3/20 0.46
HTT P42858 6/20 0.45
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
POLB P06746 2/20 0.44
RECQL P46063 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
Hydrochloric Acid SCHEMBL7817712 0.99 LMNA (0.56) LMNAMAPK1HPGDKDM4ETSHR
SCHEMBL7818494 0.85 LMNA (0.39) LMNAMAPK1HPGDKDM4ETSHR
Hydrochloric Acid SCHEMBL7818505 0.85 LMNA (0.41) LMNAMAPK1HPGDKDM4ETSHR
SCHEMBL7818149 0.85 KDM1A (0.40) LMNAMAPK1HPGDKDM4ETSHR
Revaprazan SCHEMBL29388090 0.84 MEN1 (0.40) LMNAMAPK1HPGDKDM4ETSHR
Revaprazan SCHEMBL6990999 0.84 MEN1 (0.40) LMNAMAPK1HPGDKDM4ETSHR
Revaprazan SCHEMBL2194461 0.84 MEN1 (0.40) LMNAMAPK1HPGDKDM4ETSHR
Revaprazan SCHEMBL6993033 0.84 MEN1 (0.40) LMNAMAPK1HPGDKDM4ETSHR
Hydrochloric Acid SCHEMBL7818515 0.84 LMNA (0.40) LMNAMAPK1HPGDKDM4ETSHR
Revaprazan SCHEMBL6994677 0.84 LMNA (0.40) LMNAMAPK1HPGDKDM4ETSHR

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-0677049-B1 QUINAZOLINE DERIVATIVES YUHAN CORP LTD (KR) 2001-07-25 EP claimed
EP-0677049-B1 QUINAZOLINE DERIVATIVES YUHAN CORP LTD (KR) 2001-07-25 EP disclosed
US-5686458-A Quinazoline deriviates for treating peptic ulcer YUHAN CORPORATION (KR) 1997-11-11 US disclosed
EP-0677049-A1 QUINAZOLINE DERIVATIVES YUHAN CORPORATION, LTD. (KR) 1995-10-18 EP disclosed
WO-1994014795-A1 QUINAZOLINE DERIVATIVES YUHAN CORPORATION (KR) 1994-07-07 WO disclosed