SCHEMBL7274262

SCHEMBL7274262

COc1ccc(CCN)cc1NC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ATM Q13315 1/20 0.57
TSHR P16473 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
NFKB1 P19838 1/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
LMNA P02545 2/20 0.55
APEX1 P27695 1/20 0.55
TAAR1 Q96RJ0 2/20 0.54
MAPK1 P28482 1/20 0.54
GLA P06280 1/20 0.53
GABRA1 P14867 1/20 0.49
GABRB2 P47870 1/20 0.49
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL9827421 0.89 CYP19A1 (0.59) TSHRCYP1A2CYP3A4NFKB1MEN1
SCHEMBL10782691 0.85 MAPT (0.52) KDM4ECYP1A2CYP3A4MEN1KMT2A
SCHEMBL13754305 0.83 KMT2A (0.50) KDM4ETSHRCYP1A2MEN1KMT2A
SCHEMBL20864387 0.82 KMT2A (0.51) KDM4ETSHRCYP1A2CYP3A4MEN1
SCHEMBL6289649 0.82 KMT2A (0.51) KDM4ETSHRMEN1KMT2ALMNA
SCHEMBL8237704 0.81 SMN1; SMN2 (0.48) KDM4EMEN1KMT2ALMNAGABRA1
SCHEMBL5317776 0.81 GAA (0.60) KDM4ETSHRNFKB1MEN1KMT2A
SCHEMBL2496245 0.80 RAD52 (0.58) KDM4ETSHRMEN1KMT2ALMNA
SCHEMBL7273578 0.80 ATM (0.66) KDM4EATMTSHRCYP1A2CYP3A4
SCHEMBL10412025 0.79 KMT2A (0.61) KDM4EMEN1KMT2ALMNAMAPK1

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