SCHEMBL7271702

SCHEMBL7271702

COc1ccc(CCN)cc1NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ HTR6 P50406 1/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ CRHBP P24387 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CYP1A2 P05177 1/20 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
SCHEMBL6555026 0.84 HDAC8 (0.59) KMT2AKDM4EMAPTL3MBTL1LMNA
Hydrochloric Acid SCHEMBL7272629 0.79 SLC2A1 (0.65) KMT2AKDM4EMAPTL3MBTL1LMNA
SCHEMBL30691740 0.79 HDAC8 (0.60) KMT2AKDM4EMAPTL3MBTL1LMNA
SCHEMBL11010923 0.79 MAPT (0.63) KMT2AKDM4EMAPTL3MBTL1LMNA
SCHEMBL7273578 0.79 ATM (0.66) KMT2AKDM4ELMNAATMMEN1
SCHEMBL30691665 0.78 HDAC8 (0.59) KMT2AKDM4EMAPTL3MBTL1LMNA
SCHEMBL30691785 0.78 HDAC8 (0.59) KMT2AKDM4EMAPTL3MBTL1LMNA
SCHEMBL22000063 0.78 MAPT (0.81) KMT2AKDM4EMAPTL3MBTL1LMNA
SCHEMBL30691839 0.78 HDAC8 (0.63) KMT2AKDM4EMAPTL3MBTL1LMNA
SCHEMBL2877032 0.76 GBA1 (0.57) KMT2AKDM4EMAPTL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375668-A2 Phenylethylamines, process for their preparation and compositions containing them FISONS plc (GB) 1990-06-27 — — EP disclosed
US-4868306-A Compounds FISONS PLC (GB) 1989-09-19 — — US disclosed
US-4791216-A Para ethyl amino phenol pharmaceutical compounds FISONS PLC (GB) 1988-12-13 — — US disclosed
US-4657929-A Compounds FISONS PLC (GB) 1987-04-14 — — US disclosed
EP-0142283-A2 Phenylethylamines, process for their preparation and compositions containing them FISONS plc (GB) 1985-05-22 — — EP disclosed
Send feedback