SCHEMBL7818490

SCHEMBL7818490

COc1cccc2c(N3CCc4ccccc4C3C)nc(N(C)c3ccccc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.40
EHMT1 Q9H9B1 1/20 0.40
ADORA2A P29274 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.35
KDM1A O60341 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 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 SCHEMBL7810172 0.99 EHMT2 (0.39) EHMT2EHMT1ADORA2ANPC1TP53
SCHEMBL7820042 0.94 ADORA2A (0.38) EHMT2EHMT1ADORA2AKDM4EGLA
Hydrochloric Acid SCHEMBL7819843 0.93 ADORA2A (0.37) EHMT2EHMT1ADORA2AKDM4EGLA
SCHEMBL7810189 0.84 EHMT2 (0.38) EHMT2EHMT1NPC1TP53HPGD
SCHEMBL7811938 0.83 ADORA2A (0.42) ADORA2ANPC1HPGDKDM4EGLA
SCHEMBL7811946 0.83 ADORA2A (0.42) ADORA2ANPC1HPGDKDM4EGLA
SCHEMBL7821140 0.83 ADORA2A (0.42) ADORA2ANPC1HPGDKDM4EGLA
Hydrochloric Acid SCHEMBL7819979 0.83 EHMT2 (0.38) EHMT2EHMT1NPC1TP53HPGD
SCHEMBL7820492 0.81 MAPT (0.49) EHMT2EHMT1NPC1TP53HPGD
Hydrochloric Acid SCHEMBL7820964 0.80 MAPT (0.48) EHMT2EHMT1NPC1TP53HPGD

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 4 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
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