SCHEMBL7527031

SCHEMBL7527031

CCn1ccnc1-c1ccc2ccn(C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
CYP2A6 P11509 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PFKFB3 Q16875 3/20 0.38
ESR1 P03372 1/20 0.38
BRD4 O60885 5/20 0.36
HTR1D P28221 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PIK3CB P42338 1/20 0.36
TRPV3 Q8NET8 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL7528711 0.83 HSD11B1 (0.47) HSD11B1CYP2A6PFKFB3PDE10APIK3CB
SCHEMBL7524797 0.80 DGAT1 (0.40) HSD11B1CYP2A6PFKFB3BRD4
SCHEMBL27306734 0.76 ESR1 (0.42) ADRA2AADRA2BADRA2CESR1MAPT
SCHEMBL24185908 0.73 IDO1 (0.44) ADRA2AADRA2BADRA2CESR1
SCHEMBL10985464 0.73 ESR1 (0.44) ADRA2AADRA2BADRA2CESR1MAPT
SCHEMBL3151691 0.73 ALDH1A1 (0.43) ADRA2AADRA2BADRA2CESR1MAPT
SCHEMBL15201143 0.73 BRD4 (0.47) ADRA2AADRA2BADRA2CESR1BRD4
SCHEMBL18509355 0.73 ESR1 (0.55) L3MBTL1ESR1BRD4
SCHEMBL14627758 0.73 ESR1 (0.42) ADRA2AADRA2BADRA2CL3MBTL1ESR1
SCHEMBL2793396 0.73 ESR1 (0.58) L3MBTL1ESR1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1193027-C Substituted pyrroles HOFFMANN LA ROCHE (CH) 2005-03-16 CN disclosed
CN-1411457-A Substituted pyrroles HOFFMANN LA ROCHE (CH) 2003-04-16 CN disclosed
EP-1242409-A2 SUBSTITUTED BISINDOLYLMALEIMIDES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
EP-0801329-B1 RADIATION-SENSITIVE COMPOSITION AND RECORDING MEDIUM PRODUCED THEREFROM CLARIANT FINANCE BVI LTD (VG) 2002-03-27 EP disclosed
US-6281356-B1 ANTICANRCER AGENTS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2001046178-A2 SUBSTITUIERTE BISINDOLYMALEIMIDE F. HOFFMANN-LA ROCHE AG (CH) 2001-06-28 WO disclosed
US-6110639-A Radiation-sensitive composition and recording medium using the same HOECHST JAPAN LIMITED (JP) 2000-08-29 US disclosed
US-5846690-A Radiation-sensitive composition containing plasticizer HOECHST JAPAN LIMITED (JP) 1998-12-08 US disclosed
EP-0801329-A1 RADIATION-SENSITIVE COMPOSITION AND RECORDING MEDIUM PRODUCED THEREFROM HOECHST JAPAN LIMITED (JP) 1997-10-15 EP disclosed
EP-0735422-A1 Radiation-sensitive composition containing plasticizer HOECHST INDUSTRY LIMITED (JP) 1996-10-02 EP disclosed
US-5286867-A Substituted 1-sulfonyloxy-2-pyridones and process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1994-02-15 US disclosed
US-5227276-A NEGATIVE-WORKING RADIATION-SENSITIVE MIXTURE, AND RADIATION-SENSITIVE RECORDING MATERIAL PRODUCED WITH THIS MIXTURE HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-13 US disclosed