SCHEMBL22720176

SCHEMBL22720176

Cc1ccc(-c2nc3cc(C)ccc3c(=O)n2C2CCCC2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 3/20 0.44
PLA2G1B P04054 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
PIK3CA P42336 6/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
GSK3B P49841 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL22736786 0.99 ALOX15 (0.48) ALOX15GAATSHRPLA2G1BHSD17B10
SCHEMBL22720084 0.98 GAA (0.43) ALOX15GAATSHRPLA2G1BHSD17B10
SCHEMBL22720110 0.95 TSHR (0.40) ALOX15GAATSHRPLA2G1BHSD17B10
SCHEMBL22720123 0.92 GAA (0.42) ALOX15GAATSHRPLA2G1BHSD17B10
SCHEMBL22720130 0.91 ALOX15 (0.44) ALOX15GAATSHRPLA2G1BHSD17B10
SCHEMBL22720124 0.91 GAA (0.59) ALOX15GAATSHRKMT2AMEN1
SCHEMBL22720187 0.91 GAA (0.46) ALOX15GAATSHRHSD17B10KMT2A
SCHEMBL22720133 0.90 HRH3 (0.46) ALOX15GAATSHRPLA2G1BHSD17B10
SCHEMBL22720182 0.90 GAA (0.61) ALOX15GAATSHRKMT2AMEN1
SCHEMBL22720121 0.90 GAA (0.61) ALOX15GAATSHRKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020239050-A1 2-(2-CHLORO-4-METHYLPHENYL)QUINAZOLINE-4(3H)-KETONE COMPOUND AND MEDICAL USE THEREOF 中国人民解放军军事科学院军事医学研究院 2020-12-03 WO disclosed
WO-2020239050-A1 2-(2-CHLORO-4-METHYLPHENYL)QUINAZOLINE-4(3H)-KETONE COMPOUND AND MEDICAL USE THEREOF 中国人民解放军军事科学院军事医学研究院 2020-12-03 WO disclosed