SCHEMBL7261980

SCHEMBL7261980

c1ccc(-c2cc3ccccc3nc2N2CCNCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.76
▸ ALDH1A1 P00352 8/20 0.76
▸ L3MBTL1 Q9Y468 5/20 0.76
▸ TDP1 Q9NUW8 5/20 0.76
▸ HPGD P15428 4/20 0.60
▸ MAPT P10636 2/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ ATM Q13315 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ MAPK1 P28482 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ CYP1A2 P05177 4/20 0.51
▸ CYP3A4 P08684 4/20 0.51
▸ HTR6 P50406 3/20 0.51
▸ HTR1A P08908 3/20 0.51
▸ HTR7 P34969 2/20 0.51
▸ HTR2C P28335 2/20 0.51

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
SCHEMBL27947591 0.85 KDM4E (0.97) KDM4EALDH1A1L3MBTL1TDP1HPGD
SCHEMBL6770354 0.80 ADRB1 (0.56) KDM4EALDH1A1L3MBTL1TDP1HPGD
Hydrochloric Acid SCHEMBL30222843 0.79 ADRB1 (0.55) KDM4EALDH1A1L3MBTL1TDP1HPGD
SCHEMBL24970932 0.79 TDP1 (0.54) KDM4EALDH1A1L3MBTL1TDP1HPGD
SCHEMBL6225002 0.79 HTR6 (0.54) KDM4EALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL24969918 0.79 HTR3A (0.54) KDM4EALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL31142864 0.79 HTR3A (0.54) KDM4EALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL24971049 0.79 HTR6 (0.54) KDM4EALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL16087144 0.79 KDM4E (0.54) KDM4EALDH1A1L3MBTL1TDP1HPGD
SCHEMBL3441206 0.79 KDM4E (0.48) KDM4EALDH1A1L3MBTL1TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368008-A1 TRANSDERMAL THERAPEUTIC SYSTEM FOR THE ADMINISTRATION OF PARTIAL DOPAMINE-D2 AGONISTS LTS Lohmann Therapie-Systeme AG (DE) 2003-12-10 — — EP disclosed
WO-2002069941-A1 TRANSDERMAL THERAPEUTIC SYSTEM FOR THE ADMINISTRATION OF PARTIAL DOPAMINE-D2 AGONISTS LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2002-09-12 — — WO disclosed
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