SCHEMBL28044374

SCHEMBL28044374

O=C(O)c1ccc2cc(C(=O)O)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.56
CSNK2A1 P68400 4/20 0.56
CSNK2A2 P19784 3/20 0.56
CSNK2B P67870 3/20 0.56
CSNK2A3 Q8NEV1 3/20 0.56
FLT3 P36888 2/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 2/20 0.49
KDM4E B2RXH2 2/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TBXAS1 P24557 1/20 0.48

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
SCHEMBL6480036 0.89 FLT3 (0.47) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL6478966 0.87 SMN1; SMN2 (0.51) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL24138422 0.87 PIM1 (0.51) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL8716521 0.86 PRMT1 (0.59) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL7410565 0.85 PIM1 (0.66) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
Hydrochloric Acid SCHEMBL8713031 0.84 PRMT1 (0.58) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL28125380 0.83 KDM4E (0.46) FLT3NPC1RAB9ATP53SMN1; SMN2
SCHEMBL6480210 0.83 PSMB8 (0.51) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL6407371 0.81 FLT3 (0.76) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL1877753 0.80 PIM1 (0.45) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103130705-B Benzo five-membered unsaturated heterocycle compound or its pharmaceutical salts and preparation method thereof, pharmaceutical composition and application thereof INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2016-04-20 CN disclosed