SCHEMBL4073503

SCHEMBL4073503

CC(O)C(N)Oc1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.42
ADRA2C P18825 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA2B P18089 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HTR7 P34969 1/20 0.36
POLB P06746 1/20 0.35
GRM4 Q14833 1/20 0.35
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL17386433 0.80 HTR1A (0.46) ADRA2AADRA2CHTR1AADRA2BKMT2A
SCHEMBL4071668 0.80 FFAR1 (0.36) KMT2AMEN1ALDH1A1
SCHEMBL4078217 0.80 PKM (0.43) KMT2AMEN1ATMSMN1; SMN2LMNA
SCHEMBL4071169 0.79 ALOX15 (0.44) ADRA2BKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL6256715 0.79 KMT2A (0.53) ADRA2AADRA2CADRA2BKMT2ASMN1; SMN2
SCHEMBL7913213 0.78 ALDH1A1 (0.44) ADRA2AADRA2CHTR1AADRA2BKMT2A
SCHEMBL4069876 0.77 ABL1 (0.40) KMT2AMEN1GAASMN1; SMN2LMNA
SCHEMBL29637386 0.76 ADRA2A (0.49) ADRA2AADRA2CHTR1AADRA2BKMT2A
SCHEMBL248866 0.76 ADRA2A (0.49) ADRA2AADRA2CHTR1AADRA2BKMT2A
SCHEMBL7685092 0.76 HTR1A (0.49) ADRA2AADRA2CHTR1AADRA2BKMT2A

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-2066673-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS ChemBridge Research Laboratories, Inc. (US) 2009-06-10 EP disclosed
WO-2008021369-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2008-02-21 WO disclosed