SCHEMBL6573957

SCHEMBL6573957

Nc1ccc(OCCBr)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.44
CYP3A4 P08684 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
CASP7 P55210 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
S1PR4 O95977 10/20 0.41
CA1 P00915 1/20 0.39

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
SCHEMBL3788764 0.81 MAPT (0.66) CSNK2A1CYP3A4TSHRKDM4EMEN1
SCHEMBL27957341 0.81 CSNK2A1 (0.44) CSNK2A1CYP3A4TSHRKDM4EMEN1
SCHEMBL29610719 0.81 S1PR4 (0.46) CSNK2A1CYP3A4TSHRKDM4EMEN1
SCHEMBL6819499 0.81 S1PR4 (0.46) CSNK2A1CYP3A4TSHRKDM4EMEN1
SCHEMBL895104 0.81 S1PR4 (0.58) CYP3A4TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL11708436 0.80 TP53 (0.47) CSNK2A1CYP3A4TSHRKDM4EMEN1
SCHEMBL3788715 0.80 SMN1; SMN2 (0.65) CSNK2A1CYP3A4TSHRKDM4EMEN1
SCHEMBL3441850 0.80 S1PR4 (0.50) CSNK2A1CYP3A4TSHRKDM4EMEN1
SCHEMBL2000918 0.79 KDM4E (0.54) TSHRKDM4EMEN1ALDH1A1POLB
SCHEMBL3857536 0.78 MAOA (0.57) CSNK2A1CYP3A4TSHRKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775689-B9 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2004-09-15 EP disclosed
CN-1134410-C Amine derivatives, process for their preparation and their use as antiarrhythmic agents �й�ʯ����������ʯ�ͻ����������ι� 2004-01-14 CN disclosed
EP-0775689-B1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2003-09-03 EP disclosed
US-6057358-A POTASSIUM CHANNEL BLOCKING ANTIARRHYTHMIC DRUGS WITH LESS SIDE EFFECTS C&C RESEARCH LABS. (KR) 2000-05-02 US disclosed
CN-1169141-A Novel amine derivatives, process for their preparation and their use as antiarrhythmic agents C & C RESEARCH LABS (KR) 1997-12-31 CN disclosed
EP-0775689-A1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RESEARCH LABS. (KR) 1997-05-28 EP disclosed