SCHEMBL10784591

SCHEMBL10784591

CCOc1ccc(Nc2ccccc2Cl)c(OCC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
AGPAT2 O15120 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.43
MRGPRX1 Q96LB2 1/20 0.43
P2RX7 Q99572 1/20 0.43
MAPK10 P53779 1/20 0.43
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL10785575 0.84 SMN1; SMN2 (0.54) SMN1; SMN2TP53POLBTHRBL3MBTL1
SCHEMBL8884143 0.81 CYP3A4 (0.46) SMN1; SMN2TP53CYP2C19CYP3A4POLB
SCHEMBL10783109 0.80 TP53 (0.50) SMN1; SMN2TP53CYP2C19CYP3A4POLB
SCHEMBL11123242 0.78 KDM4E (0.54) SMN1; SMN2TP53CYP2C19CYP3A4POLB
SCHEMBL9023516 0.78 MAPT (0.47) SMN1; SMN2TP53CYP2C19CYP3A4POLB
SCHEMBL10789204 0.78 EHMT2 (0.51) SMN1; SMN2TP53POLBAGPAT2L3MBTL1
SCHEMBL10784705 0.77 GAA (0.57) SMN1; SMN2POLBL3MBTL1GAAMEN1
SCHEMBL8884987 0.76 MAPT (0.52) SMN1; SMN2TP53CYP2C19CYP3A4POLB
SCHEMBL3789310 0.73 NQO1 (0.52) TP53CYP3A4POLBL3MBTL1GAA
SCHEMBL11521594 0.73 MAPK10 (0.62) SMN1; SMN2TP53CYP2C19POLBTHRB

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-0107780-B1 FLUORAN COMPOUNDS HODOGAYA CHEMICAL CO., LTD. (JP) 1987-11-04 EP disclosed
US-4594601-A Fluoran compounds HODOGAYA CHEMICAL CO., LTD. (JP) 1986-06-10 US disclosed
EP-0107780-A2 Fluoran compounds HODOGAYA CHEMICAL CO., LTD. (JP) 1984-05-09 EP disclosed