SCHEMBL27632576

SCHEMBL27632576

OC1Nc2ccccc2C(O)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
GAA P10253 4/20 0.34
MAPT P10636 3/20 0.34
ALOX15 P16050 2/20 0.34
ALDH1A1 P00352 1/20 0.34
APP P05067 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
SNCA P37840 1/20 0.34
RAB9A P51151 1/20 0.34
MCL1 Q07820 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IDO1 P14902 2/20 0.34

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
SCHEMBL6458390 1.00 MEN1 (0.34) MEN1KMT2AGAAMAPTALOX15
SCHEMBL24519725 0.79 HTR5A (0.44) MEN1KMT2AGAAMAPTALOX15
SCHEMBL11606766 0.79 IDO1 (0.34) MEN1KMT2AGAAMAPTALOX15
SCHEMBL13949315 0.73 MAPT (0.43) MEN1KMT2AGAAMAPTALOX15
SCHEMBL30601573 0.73 MAOA (0.40) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL5179175 0.73 MAOA (0.40) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL1673261 0.68 IDO1 (0.40) MEN1KMT2AGAAMAPTALOX15
SCHEMBL17020429 0.67 GAA (0.42) MEN1KMT2AGAAMAPTALOX15
SCHEMBL11498318 0.67 EGFR (0.45) MAPTALDH1A1HPGDL3MBTL1IDO1
Bromide SCHEMBL7527486 0.67 IDO1 (0.39) MEN1KMT2AGAAMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101475528-A Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO LTD (JP) 2009-07-08 CN disclosed
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN disclosed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN disclosed