SCHEMBL7824477

SCHEMBL7824477

COc1cccc2c(N3CCc4ccccc4C3CF)nc(Nc3ccc(F)cc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 3/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
RAD52 P43351 1/20 0.37
ADORA2A P29274 1/20 0.36
KMT2A Q03164 4/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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 SCHEMBL7824813 0.99 LMNA (0.38) KDM1AMAPTTP53LMNAHPGD
SCHEMBL7817894 0.93 KDM1A (0.38) KDM1AMAPTTP53LMNAHPGD
Hydrochloric Acid SCHEMBL7819201 0.92 LMNA (0.38) KDM1AMAPTTP53LMNAHPGD
SCHEMBL7818149 0.89 KDM1A (0.40) KDM1AMAPTTP53LMNAHPGD
Hydrochloric Acid SCHEMBL7818515 0.88 LMNA (0.40) KDM1AMAPTTP53LMNAHPGD
SCHEMBL7820336 0.88
Hydrochloric Acid SCHEMBL7818856 0.87
SCHEMBL7818704 0.83 KDM4E (0.38) MAPTLMNAKDM4ERAD52ADORA2A
SCHEMBL7818267 0.81 MAPT (0.41) KDM1AMAPTTP53LMNAHPGD
SCHEMBL7821758 0.81

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-5686458-A Quinazoline deriviates for treating peptic ulcer YUHAN CORPORATION (KR) 1997-11-11 US 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