SCHEMBL8599989

SCHEMBL8599989

C=Cc1ccco1.C=Cn1c2ccccc2c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
MAPT P10636 10/20 0.51
KMT2A Q03164 8/20 0.51
MEN1 O00255 7/20 0.51
POLB P06746 7/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
ALOX15 P16050 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 6/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 3/20 0.35
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL17224383 0.80 GPR3 (0.46) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL36244 0.80 GPR3 (0.46) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL29352713 0.80 GPR3 (0.46) ALDH1A1MAPTKMT2AMEN1POLB
Ammonia Solution, Strong SCHEMBL11656972 0.78 GPR3 (0.44) ALDH1A1MAPTKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL15638077 0.78 GPR3 (0.44) ALDH1A1MAPTKMT2AMEN1POLB
Charcoal, Activated SCHEMBL546897 0.78 GPR3 (0.44) ALDH1A1MAPTKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL11276947 0.78 GPR3 (0.44) ALDH1A1MAPTKMT2AMEN1POLB
Ethylene SCHEMBL9860373 0.78 GPR3 (0.44) ALDH1A1MAPTKMT2AMEN1POLB
Bromide SCHEMBL10745035 0.78 GPR3 (0.44) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL37113 0.78

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
EP-0561379-B1 Filter medium having a limited surface negative charge for treating a blood material ASAHI MEDICAL CO (JP) 1998-07-08 EP disclosed
US-5407581-A Filter medium having a limited surface negative charge for treating a blood material ASAHI MEDICAL CO., LTD. (JP) 1995-04-18 US disclosed
EP-0561379-A1 Filter medium having a limited surface negative charge for treating a blood material ASAHI MEDICAL Co., Ltd. (JP) 1993-09-22 EP disclosed