SCHEMBL11240846

SCHEMBL11240846

CCOc1cc(N(CC)CC)ccc1C1(Nc2ccccc2-c2cccc(Cl)c2)OC(=O)c2cccnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
THRB P10828 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
GHSR Q92847 2/20 0.34
STK4 Q13043 1/20 0.33
STK3 Q13188 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.32
GRM5 P41594 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31
NPY5R Q15761 1/20 0.30
RPS6KA2 Q15349 1/20 0.30
PAK4 O96013 1/20 0.30
RET P07949 1/20 0.30

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
SCHEMBL11240811 0.80 MAPT (0.35) MAPTTHRBTP53POLBLMNA
SCHEMBL29430021 0.77 CYP3A4 (0.42) MAPTTP53LMNAALDH1A1KDM4E
SCHEMBL28284 0.77 CYP3A4 (0.42) MAPTTP53LMNAALDH1A1KDM4E
SCHEMBL30444451 0.77 CYP3A4 (0.42) MAPTTP53LMNAALDH1A1KDM4E
SCHEMBL11240578 0.75 CYP3A4 (0.36) MAPTLMNAALDH1A1KDM4ENPSR1
SCHEMBL7483791 0.75 CYP3A4 (0.39) MAPTLMNAALDH1A1KDM4ENPSR1
SCHEMBL9255478 0.74 CYP3A4 (0.39) MAPTTP53POLBLMNAALDH1A1
SCHEMBL9186497 0.74 ALDH1A1 (0.41) MAPTTP53LMNAALDH1A1KDM4E
SCHEMBL9183030 0.74 CYP3A4 (0.39) MAPTTP53POLBLMNAALDH1A1
SCHEMBL11967217 0.74 CYP3A4 (0.39) MAPTTHRBTP53LMNAALDH1A1

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
US-4337340-A FROM DIPHENYLAMINES AND BENZOYL OR 3-INDOLYLCARBONYL PYRIDINE- OR PYRAZINECARBOXYLIC ACIDS STERLING DRUG INC. (US) 1982-06-29 US disclosed
US-4243250-A FUROPYRIDINONES OR FUROPYRAZINONES AS COLOR FORMERS STERLING DRUG INC. (US) 1981-01-06 US disclosed
US-4211872-A COLOR FORMERS FREEDOM CHEMICAL COMPANY 1980-07-08 US disclosed